SCHEMBL31133702

SCHEMBL31133702

Cn1c(=O)c(C#N)c(N2CCC(Oc3cccc(Cl)c3)CC2)c2nc(Cl)ccc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DGKA P23743 2/20 0.44
▸ DGKZ Q13574 2/20 0.44
▸ FPR2 P25090 1/20 0.40
▸ PROKR1 Q8TCW9 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ CHRM4 P08173 4/20 0.39
▸ SCN9A Q15858 1/20 0.38
▸ SCD O00767 2/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ CCR3 P51677 1/20 0.36
▸ EPHX2 P34913 2/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ GPR6 P46095 1/20 0.34
▸ HTR2C P28335 1/20 0.34

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
SCHEMBL23527014 1.00 DGKA (0.44) DGKADGKZFPR2PROKR1MCHR1
SCHEMBL31133615 0.92 CHRM4 (0.47) DGKADGKZCHRM4SCDHRH1
SCHEMBL31133600 0.92 DGKA (0.41) DGKADGKZMCHR1CHRM4SCD
SCHEMBL31133671 0.92 DGKA (0.41) DGKADGKZFPR2PROKR1MCHR1
SCHEMBL23527156 0.92 DGKA (0.41) DGKADGKZFPR2PROKR1MCHR1
SCHEMBL23527041 0.92 DGKA (0.41) DGKADGKZMCHR1CHRM4SCD
SCHEMBL23527221 0.92 CHRM4 (0.47) DGKADGKZCHRM4SCDHRH1
SCHEMBL23527107 0.91 GPR6 (0.43) DGKADGKZMCHR1CHRM4SCN9A
SCHEMBL31133689 0.91 GPR6 (0.43) DGKADGKZMCHR1CHRM4SCN9A
SCHEMBL23526862 0.91 DGKA (0.47) DGKADGKZMCHR1CHRM4SCD

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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