SCHEMBL6888134

SCHEMBL6888134

CN(C(=O)OC(C)(C)C)C(Cc1ccccc1)C(=O)NCC(C)(C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.46
MMP13 P45452 1/20 0.44
OPRK1 P41145 1/20 0.43
CTSS P25774 4/20 0.42
CTSK P43235 3/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
AKT1 P31749 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
ATM Q13315 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
ACE P12821 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
SCHEMBL6888131 1.00 REN (0.46) RENMMP13OPRK1CTSSCTSK
SCHEMBL6892246 0.91 MAOB (0.44) RENMMP13OPRK1
SCHEMBL6319222 0.87 REN (0.47) RENMMP13CTSSCTSKCTSL
SCHEMBL6889863 0.86 AAK1 (0.53) RENMMP13CTSSCTSKCTSL
SCHEMBL6889868 0.86 AAK1 (0.53) RENMMP13CTSSCTSKCTSL
SCHEMBL6319080 0.85 REN (0.45) RENMMP13CTSSCTSKCTSL
SCHEMBL6320558 0.85 REN (0.45) RENMMP13CTSSCTSKCTSL
SCHEMBL6892571 0.84 MAOB (0.49) RENMMP13OPRK1
SCHEMBL6892569 0.84 MAOB (0.49) RENMMP13OPRK1
SCHEMBL4426560 0.83 REN (0.50) RENMMP13CTSSCTSKCTSL

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