SCHEMBL31133671

SCHEMBL31133671

COc1cccc(OC2CCN(c3c(C#N)c(=O)n(C)c4ccc(Cl)nc34)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DGKA P23743 2/20 0.41
▸ DGKZ Q13574 2/20 0.41
▸ CHRM4 P08173 3/20 0.38
▸ FPR2 P25090 1/20 0.38
▸ PROKR1 Q8TCW9 1/20 0.38
▸ CCR3 P51677 1/20 0.37
▸ SCD O00767 2/20 0.36
▸ GPR6 P46095 2/20 0.36
▸ PDCD1 Q15116 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ KCNH2 Q12809 4/20 0.35
▸ HRH3 Q9Y5N1 3/20 0.35
▸ MCHR1 Q99705 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ ADRA1A P35348 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
SCHEMBL23527156 1.00 DGKA (0.41) DGKADGKZCHRM4FPR2PROKR1
SCHEMBL23527014 0.92 DGKA (0.44) DGKADGKZCHRM4FPR2PROKR1
SCHEMBL31133702 0.92 DGKA (0.44) DGKADGKZCHRM4FPR2PROKR1
SCHEMBL31133615 0.91 CHRM4 (0.47) DGKADGKZCHRM4CCR3SCD
SCHEMBL23527041 0.91 DGKA (0.41) DGKADGKZCHRM4SCDKCNH2
SCHEMBL31133600 0.91 DGKA (0.41) DGKADGKZCHRM4SCDKCNH2
SCHEMBL23527221 0.91 CHRM4 (0.47) DGKADGKZCHRM4CCR3SCD
SCHEMBL23527004 0.91 DGKA (0.46) DGKADGKZCHRM4FPR2PROKR1
SCHEMBL31133736 0.91 DGKA (0.46) DGKADGKZCHRM4FPR2PROKR1
SCHEMBL23527107 0.91 GPR6 (0.43) DGKADGKZCHRM4SCDGPR6

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 4 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
EP-4081523-B1 SUBSTITUTED BICYCLIC PIPERIDINE DERIVATIVES USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2024-12-25 — — EP disclosed
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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