SCHEMBL6890591

SCHEMBL6890591

CN(C(=O)OC(C)(C)C)[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCCOCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPOR P19235 10/20 0.52
MAOB P27338 3/20 0.47
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
BCL2 P10415 1/20 0.43
REN P00797 1/20 0.42

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
SCHEMBL6890928 0.90 PSMB1 (0.49) EPORMAOBBCL2REN
SCHEMBL6890932 0.90 PSMB1 (0.49) EPORMAOBBCL2REN
SCHEMBL6892246 0.85 MAOB (0.44) MAOBITGB3ITGA2BBCL2REN
SCHEMBL29397771 0.84 ITGB3 (0.55) MAOBITGB3ITGA2B
SCHEMBL6474783 0.84 ITGB3 (0.55) MAOBITGB3ITGA2B
SCHEMBL16634946 0.84 ITGB3 (0.55) MAOBITGB3ITGA2B
SCHEMBL18918265 0.82 LTA4H (0.52) MAOBITGB3ITGA2BBCL2
SCHEMBL6885351 0.81 HRAS (0.43) MAOBSMN1; SMN2ITGB3ITGA2BBCL2
SCHEMBL7948670 0.79 EPHX2 (0.52) EPORMAOBITGB3ITGA2B
SCHEMBL7948674 0.79 EPHX2 (0.52) EPORMAOBITGB3ITGA2B

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