SCHEMBL29095073

SCHEMBL29095073

CC(=O)OCCc1ccccc1NC(=O)c1nc(-c2cccc(CN)c2)c2ccn(CC3CC3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 13/20 0.47
▸ F11 P03951 1/20 0.37
▸ TPSB2 P20231 1/20 0.37
▸ SUCNR1 Q9BXA5 1/20 0.37
▸ AVPR1B P47901 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ACACA Q13085 1/20 0.34
▸ MDM2 Q00987 2/20 0.34
▸ KLKB1 P03952 2/20 0.34
▸ MERTK Q12866 1/20 0.32

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
SCHEMBL21437422 0.87 CFD (0.50) CFDF11TPSB2SUCNR1AVPR1B
SCHEMBL21438626 0.86 CFD (0.62) CFDF11TPSB2SUCNR1AVPR1B
SCHEMBL29095139 0.83 CFD (0.40) CFDF11TPSB2AVPR1BACACB
SCHEMBL29095013 0.79 CFD (0.74) CFDF11TPSB2SUCNR1
SCHEMBL21455908 0.76 ACACB (0.39) CFDSUCNR1ACACBCYP1A2CYP3A4
SCHEMBL21438097 0.71 CFD (0.55) CFDF11TPSB2AVPR1BKLKB1
SCHEMBL21437634 0.71 CFD (0.54) CFDF11TPSB2KLKB1
SCHEMBL21437211 0.70 MDM2 (0.42) AVPR1BMDM2
SCHEMBL21439724 0.69 CFD (0.51) CFDF11TPSB2SUCNR1
SCHEMBL21455901 0.68 MDM2 (0.45) ACACBCYP1A2CYP3A4CYP2C9ACACA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117164499-A Substituted benzofurans, benzopyrroles, benzothiophenes and structurally related complement inhibitors 拜奥克里斯特制药公司 2023-12-05 — — CN disclosed
CN-112272553-B Substituted benzofurans, benzopyrroles, benzothiophenes and structurally related complement inhibitors 拜奥克里斯特制药公司 2023-09-22 — — CN disclosed
Send feedback