Neuropathic gabapentinoid / SNRI series

Neuropathic · gabapentinoidNot analyzed

Gabapentinoid α2δ ligands and duloxetine used in neuropathic pain — bridges to antidepressant SNRI chemotype.

Mechanism · Neuropathic · gabapentinoid BioMoa · CNS antidepressant BioMoa bridge · shared ID

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Data sources: Catalog seed · PubChem · ChEMBL · ClinicalTrials.gov · FDA/EMA
Last updated: Not recorded
Similarity method: Morgan fingerprint, radius 2, 2048 bits, Tanimoto
Verified / known compounds: 5
Exploratory nodes: 1
Abstract scaffolds: 1
Relationship types: Derived (curated) · Fingerprint similarity · Drug-class link

StructureMoa is a chemical-structure exploration tool. Structural similarity, clustering, and SAR relationships are intended for research exploration and do not establish shared potency, selectivity, safety, efficacy, or clinical performance.

Spider Web · Flow · Structure table · Compare · SMILES map

Name, 2D structure, SMILES, role, parent, core similarity, and traits. Click a row for details.

Compound	Role	SMILES	Parent	Core sim.	Traits
Gabapentinoid amino-acid coreAbstract pharmacophoreneuropathic-gabapentinoid-corePage	Scaffold	`NCC(C)CC(=O)O`	—	—	neuropathic · core · gabapentinoid · Shared pharmacophore / core scaffold. Anchor for the Neuropathic gabapentinoid / SNRI seri…
Duloxetine (Cymbalta)Verified drugduloxetinePage	Drug	`CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1`	Gabapentinoid amino-acid core	—	neuropathic · FDA · approved · SNRI · cross-SSRI · Approved therapeutic. Duloxetine (Cymbalta) in this family map. · CHEMBL1175 · CID 60835
Gabapentin (Neurontin)Verified druggabapentinPage	Drug	`NCC1(CCCCC1)CC(=O)O`	Gabapentinoid amino-acid core	—	neuropathic · FDA · approved · α2δ · Approved therapeutic. Gabapentin (Neurontin) in this family map.
Milnacipran (Savella)Verified drugmilnacipranPage	Drug	`CCN(CC)C(=O)C1(CC1CN)C2=CC=CC=C2`	Gabapentinoid amino-acid core	—	neuropathic · FDA · approved · SNRI · Approved therapeutic. Milnacipran (Savella) in this family map.
Pregabalin (Lyrica)Verified drugpregabalinPage	Drug	`CC(C)C[C@H](N)CC(=O)O`	Gabapentinoid amino-acid core	—	neuropathic · FDA · approved · α2δ · Approved therapeutic. Pregabalin (Lyrica) in this family map.
Tapentadol (Nucynta)Verified drugtapentadolPage	Drug	`CCC(C1=CC(=CC=C1)O)C(C)CN(C)C`	Gabapentinoid amino-acid core	—	neuropathic · FDA · approved · MOR-NRI · Approved therapeutic. Tapentadol (Nucynta) in this family map.
Gabapentin methyl homologExploratory analog (rule-generated)gabapentin-methyl-homologPage	Derivative	`CC1(CN)CCCCC1CC(=O)O`	Gabapentinoid amino-acid core	—	SAR · SAR exploration node. Derived analog of parent node in Neuropathic gabapentinoid / SNRI se…

Name	Role	Derived from	Sim. to core	Relations	Tags
Duloxetine (Cymbalta)Verified drug	Drug	Gabapentinoid amino-acid core	—	derived_from: Gabapentinoid amino-acid core · similar_to: Milnacipran (Savella) · related_drug: Gabapentin (Neurontin)	neuropathic, FDA, approved, SNRI, cross-SSRI
Gabapentin (Neurontin)Verified drug	Drug	Gabapentinoid amino-acid core	—	derived_from: Gabapentinoid amino-acid core · similar_to: Pregabalin (Lyrica) · related_drug: Duloxetine (Cymbalta)	neuropathic, FDA, approved, α2δ
Gabapentin methyl homologExploratory analog (rule-generated)	Derivative	Gabapentinoid amino-acid core	—	derived_from: Gabapentinoid amino-acid core	SAR
Gabapentinoid amino-acid coreAbstract pharmacophore	Scaffold	—	—	derived_from: Gabapentin (Neurontin) · derived_from: Pregabalin (Lyrica) · derived_from: Duloxetine (Cymbalta) · derived_from: Milnacipran (Savella) · derived_from: Tapentadol (Nucynta) · derived_from: Gabapentin methyl homolog	neuropathic, core, gabapentinoid
Milnacipran (Savella)Verified drug	Drug	Gabapentinoid amino-acid core	—	derived_from: Gabapentinoid amino-acid core · similar_to: Duloxetine (Cymbalta) · related_drug: Tapentadol (Nucynta)	neuropathic, FDA, approved, SNRI
Pregabalin (Lyrica)Verified drug	Drug	Gabapentinoid amino-acid core	—	derived_from: Gabapentinoid amino-acid core · similar_to: Gabapentin (Neurontin)	neuropathic, FDA, approved, α2δ
Tapentadol (Nucynta)Verified drug	Drug	Gabapentinoid amino-acid core	—	derived_from: Gabapentinoid amino-acid core · related_drug: Milnacipran (Savella)	neuropathic, FDA, approved, MOR-NRI

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Clinical · regulatory context

신경병증 통증 — α2δ / SNRI

Gabapentinoid와 duloxetine이 1차 계열. 구조 유사도만으로 적응증을 추정하면 안 됩니다.

Approved/clinical labels here come from the catalog clinical overlay. Agency names are shown when curated; live FDA/EMA APIs are not called.

PregabalinApprovedFDA/EMA
Neuropathic pain, fibromyalgia, seizures
호흡억제 위험 (opioids 병용)
ClinicalTrials.gov
DuloxetineApprovedFDA/EMA
DPN, chronic MSK pain, depression
자살 사고 (항우울제 class)
ClinicalTrials.gov

Program and pipeline notes live on BioMoa · cns · StructureMoa ↔ BioMoa bridge