MS S1P modulator series

MS · S1PNot analyzed

Sphingosine-1-phosphate receptor modulators — fingolimod, siponimod and ozanimod.

Mechanism · MS · S1P BioMoa · MS / S1P BioMoa bridge · shared ID

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Data sources: Catalog seed · ClinicalTrials.gov · FDA/EMA
Last updated: Not recorded
Similarity method: Morgan fingerprint, radius 2, 2048 bits, Tanimoto
Verified / known compounds: 4
Exploratory nodes: 2
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
Sphingosine-like pharmacophoreAbstract pharmacophores1p-sphingosine-corePage	Scaffold	`CCCCCCCCCCCCC(C(CO)N)O`	—	—	S1P · core · sphingosine · Shared pharmacophore / core scaffold. Anchor for the MS S1P modulator series lineage.
Fingolimod (Gilenya)Verified drugfingolimodPage	Drug	`CCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N`	Sphingosine-like pharmacophore	—	MS · FDA · approved · S1P1 · Approved therapeutic. Fingolimod (Gilenya) in this family map.
Ozanimod (Zeposia)Verified drugozanimodPage	Drug	`CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CCC(C4…`	Sphingosine-like pharmacophore	—	MS · FDA · approved · S1P1/5 · Approved therapeutic. Ozanimod (Zeposia) in this family map.
Ponesimod (Ponvory)Verified drugponesimodPage	Drug	`CC(C)OC1=CC=C(C=C1)C2=NC(=NO2)C3=C4CC[C@@H…`	Sphingosine-like pharmacophore	—	MS · FDA · approved · S1P1 · Approved therapeutic. Ponesimod (Ponvory) in this family map.
Siponimod (Mayzent)Verified drugsiponimodPage	Drug	`CCC1=C(C=CC(=C1)C(=NOCC2=CC(=C(C=C2)C3CCCC…`	Sphingosine-like pharmacophore	—	MS · FDA · approved · S1P1/5 · Approved therapeutic. Siponimod (Mayzent) in this family map.
Des-hydroxy fingolimod analogExploratory analog (rule-generated)fingolimod-des-hydroxy-analogPage	Derivative	`CCCCCCCC1=CC=C(C=C1)CCC(C)N`	Sphingosine-like pharmacophore	—	SAR · SAR exploration node. Derived analog of parent node in MS S1P modulator series.
Des-hydroxy ponesimod analogExploratory analog (rule-generated)ponesimod-des-hydroxy-analogPage	Derivative	`CC(C)OC1=CC=C(C=C1)C2=NC(=NO2)C3=C4CC[C@H]…`	Sphingosine-like pharmacophore	—	SAR · SAR exploration node. Derived analog of parent node in MS S1P modulator series.

Core → SAR → final drug/ADC development path.

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Clinical · regulatory context

MS — S1P 조절제

Fingolimod 이후 siponimod·ozanimod 등 선택성 개선. 심장·감염 모니터링이 규제 포인트입니다.

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

FingolimodApprovedFDA/EMA
Relapsing MS
ClinicalTrials.gov
SiponimodApprovedFDA/EMA
Secondary progressive MS
ClinicalTrials.gov

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