SCHEMBL31133662

SCHEMBL31133662

Cn1c(=O)c(C#N)c(N2CCC(Oc3ccccc3)CC2)c2nc(Cl)ccc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DGKA P23743 3/20 0.47
▸ DGKZ Q13574 3/20 0.47
▸ SCD O00767 3/20 0.41
▸ NR3C1 P04150 1/20 0.40
▸ CHRM4 P08173 3/20 0.40
▸ GPR6 P46095 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ HRH3 Q9Y5N1 6/20 0.36
▸ ADRA1A P35348 3/20 0.36
▸ KCNH2 Q12809 3/20 0.36
▸ USP30 Q70CQ3 2/20 0.35

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
SCHEMBL23526862 1.00 DGKA (0.47) DGKADGKZSCDNR3C1CHRM4
SCHEMBL31133650 0.93 DGKA (0.46) DGKADGKZSCDCHRM4HRH3
SCHEMBL31133750 0.93 DGKA (0.52) DGKADGKZSCDCHRM4MCHR1
SCHEMBL23527307 0.93 DGKA (0.46) DGKADGKZSCDCHRM4HRH3
SCHEMBL23527176 0.93 DGKA (0.52) DGKADGKZSCDCHRM4MCHR1
SCHEMBL23527095 0.92 HRH3 (0.47) DGKADGKZGPR6HRH3
SCHEMBL31133498 0.92 HRH3 (0.47) DGKADGKZGPR6HRH3
SCHEMBL23527004 0.92 DGKA (0.46) DGKADGKZSCDCHRM4HRH3
SCHEMBL31133736 0.92 DGKA (0.46) DGKADGKZSCDCHRM4HRH3
SCHEMBL23527014 0.91 DGKA (0.44) DGKADGKZSCDCHRM4GPR6

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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