SCHEMBL6890315

SCHEMBL6890315

CCN(C(=O)C(Cc1ccc(OCc2ccccc2)cc1)N(C)C(=O)C(Cc1cnc[nH]1)NC(=O)OCc1ccccc1)c1ccccc1F

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRAS P01112 12/20 0.60
FNTA P49354 1/20 0.54
FNTB P49356 1/20 0.54
MME P08473 1/20 0.44
ECE1 P42892 1/20 0.44
LTA4H P09960 1/20 0.43
CYP3A4 P08684 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
SCHEMBL7953191 0.88 HRAS (0.59) HRASFNTAFNTBMMEECE1
SCHEMBL6888622 0.86 HRAS (0.61) HRASFNTAFNTBMMEECE1
SCHEMBL6888486 0.85 HRAS (0.72) HRASFNTAFNTBMMEECE1
SCHEMBL6890313 0.84 HRAS (0.58) HRASFNTAFNTBMMEECE1
SCHEMBL8590531 0.84 HRAS (0.63) HRASFNTAFNTBMMEECE1
SCHEMBL6891481 0.82 HRAS (0.55) HRASFNTAFNTBMMEECE1
SCHEMBL8590786 0.82 HRAS (0.55) HRASFNTAFNTBMMEECE1
SCHEMBL6888575 0.81 HRAS (0.64) HRASFNTAFNTBMMEECE1
SCHEMBL6891473 0.81 HRAS (0.61) HRASFNTAFNTBMMEECE1
SCHEMBL6888618 0.80 HRAS (0.73) HRASFNTAFNTBMMEECE1

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