Amiselimod

Amiselimod

SCHEMBL30029360

CCCCCCCOc1ccc(CCC(N)(CO)CO)cc1C(F)(F)F.Cl

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

S1PR1S1PR2S1PR3S1PR4S1PR5

The experimentally established mechanism targets of Amiselimod. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 known ✓ P21453 11/20 0.98
▸ S1PR3 known ✓ Q99500 7/20 0.55
▸ S1PR4 known ✓ O95977 5/20 0.55
▸ S1PR5 known ✓ Q9H228 5/20 0.55
▸ S1PR2 known ✓ O95136 3/20 0.47
▸ TNNC1 P63316 6/20 0.55
▸ SGPL1 O95470 1/20 0.55
▸ GPR183 P32249 1/20 0.55
▸ CERS2 Q96G23 1/20 0.55
▸ THRA P10827 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ SPHK2 Q9NRA0 2/20 0.49
▸ SPHK1 Q9NYA1 1/20 0.49
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C8 P10632 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL2465803 1.00 S1PR1 (0.98) S1PR1S1PR3TNNC1S1PR4S1PR5
Hydrochloric Acid SCHEMBL2462139 1.00 S1PR1 (0.98) S1PR1S1PR3TNNC1S1PR4S1PR5
Amiselimod SCHEMBL2463915 1.00 S1PR1 (0.98) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL2468253 0.99 S1PR1 (1.00) S1PR1S1PR3TNNC1S1PR4S1PR5
Amiselimod SCHEMBL29691985 0.99 S1PR1 (1.00) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL12336974 0.99 S1PR1 (1.00) S1PR1S1PR3TNNC1S1PR4S1PR5
Amiselimod SCHEMBL2463680 0.99 S1PR1 (1.00) S1PR1S1PR3TNNC1S1PR4S1PR5
Hydrochloric Acid SCHEMBL2464567 0.96 S1PR1 (0.89) S1PR1S1PR3TNNC1S1PR4S1PR5
Hydrochloric Acid SCHEMBL2468572 0.95 S1PR1 (0.88) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL12336900 0.94 S1PR1 (0.91) S1PR1S1PR3TNNC1S1PR4S1PR5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119405638-A Pharmaceutical composition 田边三菱制药株式会社 2025-02-11 — — CN claimed
CN-118662488-A Therapeutic agent for myalgic encephalomyelitis/chronic fatigue syndrome 田边三菱制药株式会社 2024-09-20 — — CN claimed
CN-114980874-B Therapeutic agent for myalgic encephalomyelitis/chronic fatigue syndrome 田边三菱制药株式会社 2024-08-13 — — CN claimed
CN-115279355-A Pharmaceutical composition 田边三菱制药株式会社 2022-11-01 — — CN claimed
CN-119405638-A Pharmaceutical composition 田边三菱制药株式会社 2025-02-11 — — CN disclosed
CN-118662488-A Therapeutic agent for myalgic encephalomyelitis/chronic fatigue syndrome 田边三菱制药株式会社 2024-09-20 — — CN disclosed
CN-114980874-B Therapeutic agent for myalgic encephalomyelitis/chronic fatigue syndrome 田边三菱制药株式会社 2024-08-13 — — CN disclosed
CN-115279355-A Pharmaceutical composition 田边三菱制药株式会社 2022-11-01 — — CN disclosed
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