SCHEMBL31133628

SCHEMBL31133628

Cn1c(=O)c(C#N)c(N2CCC(Oc3ccc(F)cc3)CC2)c2nc(Cl)ccc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DGKA P23743 4/20 0.45
▸ DGKZ Q13574 4/20 0.45
▸ CHRM4 P08173 8/20 0.44
▸ DGKI O75912 1/20 0.42
▸ DGKG P49619 1/20 0.42
▸ DGKK Q5KSL6 1/20 0.42
▸ DGKB Q9Y6T7 1/20 0.42
▸ SCD O00767 4/20 0.40
▸ GPR6 P46095 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.37
▸ PRKAA2 P54646 1/20 0.36
▸ FPR2 P25090 1/20 0.36
▸ PROKR1 Q8TCW9 1/20 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
SCHEMBL23527042 1.00 DGKA (0.45) DGKADGKZCHRM4DGKIDGKG
SCHEMBL31133650 0.93 DGKA (0.46) DGKADGKZCHRM4SCDHRH3
SCHEMBL31133750 0.93 DGKA (0.52) DGKADGKZCHRM4SCDHRH3
SCHEMBL23527176 0.93 DGKA (0.52) DGKADGKZCHRM4SCDHRH3
SCHEMBL23527307 0.93 DGKA (0.46) DGKADGKZCHRM4SCDHRH3
SCHEMBL23527004 0.92 DGKA (0.46) DGKADGKZCHRM4SCDHRH3
SCHEMBL31133498 0.92 HRH3 (0.47) DGKADGKZGPR6HRH3FPR2
SCHEMBL23527095 0.92 HRH3 (0.47) DGKADGKZGPR6HRH3FPR2
SCHEMBL31133736 0.92 DGKA (0.46) DGKADGKZCHRM4SCDHRH3
SCHEMBL23526862 0.91 DGKA (0.47) 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 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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