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.

From the core chemical, derivatives, drugs, and payloads fan out. Dashed orange chords are drug–drug links (spider web).

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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