SCHEMBL31133650

SCHEMBL31133650

Cc1ccc(OC2CCN(c3c(C#N)c(=O)n(C)c4ccc(Cl)nc34)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DGKA P23743 3/20 0.46
▸ DGKZ Q13574 3/20 0.46
▸ CHRM4 P08173 6/20 0.39
▸ FPR2 P25090 3/20 0.39
▸ PROKR1 Q8TCW9 3/20 0.39
▸ SCD O00767 2/20 0.39
▸ HRH3 Q9Y5N1 4/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ ADRA1A P35348 1/20 0.38

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
SCHEMBL23527307 1.00 DGKA (0.46) DGKADGKZCHRM4FPR2PROKR1
SCHEMBL23527176 0.94 DGKA (0.52) DGKADGKZCHRM4FPR2PROKR1
SCHEMBL31133750 0.94 DGKA (0.52) DGKADGKZCHRM4FPR2PROKR1
SCHEMBL31133736 0.94 DGKA (0.46) DGKADGKZCHRM4FPR2PROKR1
SCHEMBL23527004 0.94 DGKA (0.46) DGKADGKZCHRM4FPR2PROKR1
SCHEMBL31133498 0.94 HRH3 (0.47) DGKADGKZFPR2PROKR1HRH3
SCHEMBL23527095 0.94 HRH3 (0.47) DGKADGKZFPR2PROKR1HRH3
SCHEMBL23527042 0.93 DGKA (0.45) DGKADGKZCHRM4FPR2PROKR1
SCHEMBL31133628 0.93 DGKA (0.45) DGKADGKZCHRM4FPR2PROKR1
SCHEMBL23526862 0.93 DGKA (0.47) DGKADGKZCHRM4SCDHRH3

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
Send feedback