SCHEMBL31133747

SCHEMBL31133747

Cn1c(=O)c(C#N)c(N2CCC(Oc3cc(F)ccc3Cl)CC2)c2nc(Cl)ccc21

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 10/20 0.55
▸ DGKA P23743 4/20 0.41
▸ DGKZ Q13574 4/20 0.41
▸ CHRM4 P08173 2/20 0.41
▸ GPR6 P46095 1/20 0.40
▸ DGKI O75912 1/20 0.37
▸ DGKG P49619 1/20 0.37
▸ DGKK Q5KSL6 1/20 0.37
▸ DGKB Q9Y6T7 1/20 0.37

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
SCHEMBL23526850 1.00 SCD (0.55) SCDDGKADGKZCHRM4GPR6
SCHEMBL23526838 0.92 SCD (0.45) SCDDGKADGKZCHRM4GPR6
SCHEMBL31133715 0.92 SCD (0.45) SCDDGKADGKZCHRM4GPR6
SCHEMBL31133806 0.90 SCD (0.53) SCDDGKADGKZ
SCHEMBL23526978 0.90 SCD (0.53) SCDDGKADGKZ
SCHEMBL23526837 0.89 SCD (0.44) SCDDGKADGKZGPR6DGKI
SCHEMBL31133649 0.89 SCD (0.44) SCDDGKADGKZGPR6DGKI
SCHEMBL23527042 0.89 DGKA (0.45) SCDDGKADGKZCHRM4GPR6
SCHEMBL31133628 0.89 DGKA (0.45) SCDDGKADGKZCHRM4GPR6
SCHEMBL23527107 0.87 GPR6 (0.43) SCDDGKADGKZCHRM4GPR6

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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