SCHEMBL6885351

SCHEMBL6885351

CN(C(=O)OC(C)(C)C)[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC1(c2ccccc2)CCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRAS P01112 3/20 0.43
FPR1 P21462 2/20 0.42
FPR2 P25090 2/20 0.42
YAP1 P46937 3/20 0.41
MAOB P27338 3/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
BCL2 P10415 1/20 0.40
LTA4H P09960 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MMP13 P45452 1/20 0.39
PSMB1 P20618 3/20 0.39
PSMB9 P28065 2/20 0.39
PSMB5 P28074 2/20 0.39
PSMB10 P40306 2/20 0.39
PSMB2 P49721 2/20 0.39
PSMB8 P28062 1/20 0.39

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 0.82 PSMB1 (0.49) MAOBBCL2MMP13PSMB1PSMB9
SCHEMBL6890932 0.82 PSMB1 (0.49) MAOBBCL2MMP13PSMB1PSMB9
SCHEMBL6890591 0.81 EPOR (0.52) MAOBITGB3ITGA2BBCL2SMN1; SMN2
SCHEMBL6892246 0.81 MAOB (0.44) HRASYAP1MAOBITGB3ITGA2B
SCHEMBL16634946 0.79 ITGB3 (0.55) YAP1MAOBITGB3ITGA2BLTA4H
SCHEMBL6474783 0.79 ITGB3 (0.55) YAP1MAOBITGB3ITGA2BLTA4H
SCHEMBL29397771 0.79 ITGB3 (0.55) YAP1MAOBITGB3ITGA2BLTA4H
SCHEMBL18918265 0.78 LTA4H (0.52) YAP1MAOBITGB3ITGA2BBCL2
Trifluoroacetic Acid SCHEMBL6890911 0.77 FPR2 (0.51) HRASFPR1FPR2ITGB3ITGA2B
SCHEMBL6885353 0.76 YAP1 (0.46) YAP1MAOBITGB3ITGA2BBCL2

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