SCHEMBL31133715

SCHEMBL31133715

COc1cc(F)ccc1OC1CCN(c2c(C#N)c(=O)n(C)c3ccc(Cl)nc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 3/20 0.45
▸ GPR6 P46095 10/20 0.44
▸ CHRM4 P08173 2/20 0.41
▸ DGKA P23743 3/20 0.41
▸ DGKZ Q13574 3/20 0.41
▸ KDM1A O60341 1/20 0.40

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
SCHEMBL23526838 1.00 SCD (0.45) SCDGPR6CHRM4DGKADGKZ
SCHEMBL23526850 0.92 SCD (0.55) SCDGPR6CHRM4DGKADGKZ
SCHEMBL31133747 0.92 SCD (0.55) SCDGPR6CHRM4DGKADGKZ
SCHEMBL31133787 0.91 SCD (0.45) SCDGPR6DGKADGKZKDM1A
SCHEMBL23527026 0.91 SCD (0.45) SCDGPR6DGKADGKZKDM1A
SCHEMBL23526837 0.87 SCD (0.44) SCDGPR6DGKADGKZ
SCHEMBL31133649 0.87 SCD (0.44) SCDGPR6DGKADGKZ
SCHEMBL23527042 0.87 DGKA (0.45) SCDGPR6CHRM4DGKADGKZ
SCHEMBL31133628 0.87 DGKA (0.45) SCDGPR6CHRM4DGKADGKZ
SCHEMBL23527107 0.86 GPR6 (0.43) SCDGPR6CHRM4DGKADGKZ

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4081523-B1 SUBSTITUTED BICYCLIC PIPERIDINE DERIVATIVES USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2024-12-25 — — EP claimed
CN-114901660-B Substituted bicyclic compounds useful as T cell activators 百时美施贵宝公司 2024-10-15 — — CN claimed
CN-114901660-B Substituted bicyclic compounds useful as T cell activators 百时美施贵宝公司 2024-10-15 — — CN disclosed
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