SCHEMBL6892571

SCHEMBL6892571

CN(C(=O)OC(C)(C)C)C(Cc1ccc(OCc2ccccn2)cc1)C(=O)NCC(C)(C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.49
LPAR3 Q9UBY5 1/20 0.40
MMP13 P45452 1/20 0.39
ADAMTS4 O75173 1/20 0.39
PARP10 Q53GL7 1/20 0.38
OPRK1 P41145 1/20 0.38
PTPN1 P18031 1/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
GPR132 Q9UNW8 1/20 0.38
ENPP2 Q13822 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
HRAS P01112 1/20 0.37
REN P00797 1/20 0.37
BCL2 P10415 1/20 0.37
MDM4 O15151 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
SCHEMBL6892569 1.00 MAOB (0.49) MAOBLPAR3MMP13ADAMTS4PARP10
SCHEMBL6892246 0.89 MAOB (0.44) MAOBMMP13OPRK1PTPN1ITGB3
SCHEMBL6888131 0.84 REN (0.46) MMP13OPRK1REN
SCHEMBL6888134 0.84 REN (0.46) MMP13OPRK1REN
SCHEMBL6887237 0.78 HRAS (0.51) MAOBITGB3ITGA2BHRAS
SCHEMBL6890928 0.77 PSMB1 (0.49) MAOBMMP13RENBCL2
SCHEMBL6890932 0.77 PSMB1 (0.49) MAOBMMP13RENBCL2
SCHEMBL6890435 0.76 HRAS (0.46) MAOBITGB3ITGA2BHRAS
SCHEMBL6890591 0.75 EPOR (0.52) MAOBSMN1; SMN2ITGB3ITGA2BREN
SCHEMBL6889863 0.75 AAK1 (0.53) MMP13REN

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
US-6737410-B1 SMOOTH MUSCLE ANTIPROLIFERATION AGENTS; SUCH AS 1-((2-(4-BENZYLOXY-PHENYL)-1-PHENETHYLCARBAMOYL-ETHYL)-METHYL-CARBAMOYL)-2 -(1H-IMIDAZOL-4-YL)-ETHYL)-CARBAMIC ACID BENZYL ESTER WARNER-LAMBERT COMPANY 2004-05-18 US disclosed
US-6265382-B1 E.G., (S--(R*, R*))-(1-((2-(4-BENZYLOXY-PHENYL)-1-PHENETHYLCARBAMOYL-ETHYL)-M ETHYL-CARBAM OYL)-2-(1H-IMIDAZOL-4-YL)-ETHYL)-CARBAMIC ACID BENZYL ESTER WARNER-LAMBERT COMPANY 2001-07-24 US disclosed