SCHEMBL31133600

SCHEMBL31133600

Cc1cccc(OC2CCN(c3c(C#N)c(=O)n(C)c4ccc(Cl)nc34)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DGKA P23743 2/20 0.41
▸ DGKZ Q13574 2/20 0.41
▸ CHRM4 P08173 4/20 0.40
▸ ACSL1 P33121 7/20 0.40
▸ SCD O00767 2/20 0.38
▸ ADRA1A P35348 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ MCHR1 Q99705 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
SCHEMBL23527041 1.00 DGKA (0.41) DGKADGKZCHRM4ACSL1SCD
SCHEMBL23527014 0.92 DGKA (0.44) DGKADGKZCHRM4SCDMCHR1
SCHEMBL31133702 0.92 DGKA (0.44) DGKADGKZCHRM4SCDMCHR1
SCHEMBL31133615 0.91 CHRM4 (0.47) DGKADGKZCHRM4ACSL1SCD
SCHEMBL23527221 0.91 CHRM4 (0.47) DGKADGKZCHRM4ACSL1SCD
SCHEMBL31133671 0.91 DGKA (0.41) DGKADGKZCHRM4SCDADRA1A
SCHEMBL23527156 0.91 DGKA (0.41) DGKADGKZCHRM4SCDADRA1A
SCHEMBL23527107 0.91 GPR6 (0.43) DGKADGKZCHRM4SCDMCHR1
SCHEMBL31133689 0.91 GPR6 (0.43) DGKADGKZCHRM4SCDMCHR1
SCHEMBL23526862 0.90 DGKA (0.47) DGKADGKZCHRM4SCDADRA1A

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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