SCHEMBL31133415

SCHEMBL31133415

Cn1c(=O)c(C#N)c(N2CCC(Oc3ccccc3C#N)CC2)c2nc(Cl)ccc21

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 7/20 0.45
▸ DGKA P23743 3/20 0.44
▸ DGKZ Q13574 3/20 0.44
▸ GPR6 P46095 2/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ CHRM4 P08173 2/20 0.36
▸ DCK P27707 2/20 0.36

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
SCHEMBL23526832 1.00 SCD (0.45) SCDDGKADGKZGPR6PDE10A
SCHEMBL23526978 0.92 SCD (0.53) SCDDGKADGKZ
SCHEMBL31133806 0.92 SCD (0.53) SCDDGKADGKZ
SCHEMBL31133787 0.91 SCD (0.45) SCDDGKADGKZGPR6PDE10A
SCHEMBL23527026 0.91 SCD (0.45) SCDDGKADGKZGPR6PDE10A
SCHEMBL23526837 0.90 SCD (0.44) SCDDGKADGKZGPR6
SCHEMBL31133649 0.90 SCD (0.44) SCDDGKADGKZGPR6
SCHEMBL31133662 0.88 DGKA (0.47) SCDDGKADGKZGPR6CHRM4
SCHEMBL23526862 0.88 DGKA (0.47) SCDDGKADGKZGPR6CHRM4
SCHEMBL23527152 0.88 SCD (0.46) SCDDGKADGKZGPR6PDE10A

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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