SCHEMBL6891473

SCHEMBL6891473

CN(C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC1(c2ccccc2F)CC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRAS P01112 12/20 0.61
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
MME P08473 1/20 0.43
ECE1 P42892 1/20 0.43
LTA4H P09960 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
SCHEMBL6887268 0.91 HRAS (0.73) HRASFNTAFNTBMMEECE1
SCHEMBL6888472 0.89 HRAS (0.73) HRASFNTAFNTBMMEECE1
SCHEMBL6890313 0.86 HRAS (0.58) HRASFNTAFNTBMMEECE1
SCHEMBL6888575 0.84 HRAS (0.64) HRASFNTAFNTBMMEECE1
SCHEMBL6888486 0.83 HRAS (0.72) HRASFNTAFNTBMMEECE1
SCHEMBL8590786 0.83 HRAS (0.55) HRASFNTAFNTBMMEECE1
SCHEMBL6891481 0.83 HRAS (0.55) HRASFNTAFNTBMMEECE1
SCHEMBL6888618 0.83 HRAS (0.73) HRASFNTAFNTBMMEECE1
SCHEMBL6890315 0.81 HRAS (0.60) HRASFNTAFNTBMMEECE1
SCHEMBL7953187 0.81 HRAS (0.58) HRASFNTAFNTBLTA4H

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