Benzodiazepine GABA-A modulators

Anxiolytic · GABARefresh recommended

1,4-Benzodiazepine core to diazepam, lorazepam and midazolam anxiolytics / sedatives.

Mechanism · Anxiolytic · GABA BioMoa · GABAergic / CNS BioMoa bridge · shared ID

Last analysis: 7/20/2026, 2:06:46 AM · 2 weeks cadence · refresh on /analyze · refresh recommended

Data sources: Catalog seed · PubChem · ChEMBL
Last updated: 7/20/2026, 2:06:46 AM
Similarity method: Morgan fingerprint, radius 2, 2048 bits, Tanimoto
Verified / known compounds: 4
Exploratory nodes: 2
Abstract scaffolds: 1
Relationship types: Derived (curated) · Drug-class link · Fingerprint similarity

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
1,4-Benzodiazepine coreAbstract pharmacophorebenzodiazepine-corePage	Scaffold	`CN1C(=O)CN=C(C2=C1C=CC=C2)C3=CC=CC=C3`	—	—	GABA-A · core · Shared pharmacophore / core scaffold. Anchor for the Benzodiazepine GABA-A modulators line…
Alprazolam (Xanax)Verified drugalprazolamPage	Drug	`CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=C…`	1,4-Benzodiazepine core	—	anxiolytic · FDA · approved · triazolo · Approved therapeutic. Alprazolam (Xanax) in this family map.
Clonazepam (Klonopin)Verified drugclonazepamPage	Drug	`C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C…`	1,4-Benzodiazepine core	—	anxiolytic · FDA · approved · anticonvulsant · Approved therapeutic. Clonazepam (Klonopin) in this family map.
Diazepam (Valium)Verified drugdiazepamPage	Drug	`CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3`	1,4-Benzodiazepine core	71%i	anxiolytic · FDA · Clinical or approved drug node — Diazepam (Valium). · CHEMBL12 · CID 3016
Lorazepam (Ativan)Known compoundlorazepamPage	Drug	`OC1N=C(C2=CC=CC=C2)C3=C(N1C(=O)C)C=CC(Cl)=…`	1,4-Benzodiazepine core	29%i	anxiolytic · hydroxylated · Clinical or approved drug node — Lorazepam (Ativan). · CHEMBL697 · CID 3958
Midazolam (Versed)Exploratory analogmidazolamPage	Drug	`CC1=NC=C2C=C(C=CC=C2N1C3=CC=CC=C3F)Cl`	1,4-Benzodiazepine core	18%i	sedative · imidazo fusion · Clinical or approved drug node — Midazolam (Versed).
Methyl-substituted analogExploratory analog (rule-generated)benzodiazepine-methyl-analogPage	Derivative	`CN1C(=O)CN=C(C2=C1C=CC(=C2)C)C3=CC=CC=C3`	1,4-Benzodiazepine core	73%i	SAR · SAR exploration node. Derived analog of parent node in Benzodiazepine GABA-A modulators.

Name	Role	Derived from	Sim. to core	Relations	Tags
1,4-Benzodiazepine coreAbstract pharmacophore	Scaffold	—	—	derived_from: Alprazolam (Xanax) · derived_from: Methyl-substituted analog · derived_from: Diazepam (Valium) · derived_from: Lorazepam (Ativan) · derived_from: Midazolam (Versed) · similar_to: Lorazepam (Ativan) · similar_to: Midazolam (Versed) · derived_from: Clonazepam (Klonopin) · similar_to: Diazepam (Valium) · similar_to: Methyl-substituted analog	GABA-A, core
Alprazolam (Xanax)Verified drug	Drug	1,4-Benzodiazepine core	—	derived_from: 1,4-Benzodiazepine core · similar_to: Clonazepam (Klonopin) · related_drug: Clonazepam (Klonopin)	anxiolytic, FDA, approved, triazolo
Clonazepam (Klonopin)Verified drug	Drug	1,4-Benzodiazepine core	—	derived_from: 1,4-Benzodiazepine core · similar_to: Alprazolam (Xanax) · related_drug: Alprazolam (Xanax)	anxiolytic, FDA, approved, anticonvulsant
Diazepam (Valium)Verified drug	Drug	1,4-Benzodiazepine core	71%i	derived_from: 1,4-Benzodiazepine core · related_drug: Midazolam (Versed) · similar_to: Methyl-substituted analog · similar_to: Lorazepam (Ativan) · similar_to: 1,4-Benzodiazepine core	anxiolytic, FDA
Lorazepam (Ativan)Known compound	Drug	1,4-Benzodiazepine core	29%i	derived_from: 1,4-Benzodiazepine core · similar_to: 1,4-Benzodiazepine core · similar_to: Diazepam (Valium)	anxiolytic, hydroxylated
Methyl-substituted analogExploratory analog (rule-generated)	Derivative	1,4-Benzodiazepine core	73%i	derived_from: 1,4-Benzodiazepine core · similar_to: Diazepam (Valium) · similar_to: 1,4-Benzodiazepine core	SAR
Midazolam (Versed)Exploratory analog	Drug	1,4-Benzodiazepine core	18%i	derived_from: 1,4-Benzodiazepine core · related_drug: Diazepam (Valium) · similar_to: 1,4-Benzodiazepine core	sedative, imidazo fusion

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