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Sugi Predict / Compounds / SCHEMBL7953191

SCHEMBL7953191

SCHEMBL7953191

CCN(C(=O)C(Cc1ccc(OCc2ccccc2)cc1)N(C)C(=O)C(Cc1cnc[nH]1)NC(=O)OCc1ccccc1)c1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRAS P01112 12/20 0.59
▸ FNTA P49354 1/20 0.54
▸ FNTB P49356 1/20 0.54
▸ LTA4H P09960 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ MME P08473 1/20 0.43
▸ ECE1 P42892 1/20 0.43

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
SCHEMBL6890315 0.88 HRAS (0.60) HRASFNTAFNTBLTA4HCYP3A4
SCHEMBL6888622 0.87 HRAS (0.61) HRASFNTAFNTBLTA4HMME
SCHEMBL8590531 0.85 HRAS (0.63) HRASFNTAFNTBLTA4HMME
SCHEMBL6888486 0.84 HRAS (0.72) HRASFNTAFNTBLTA4HMME
SCHEMBL7953187 0.83 HRAS (0.58) HRASFNTAFNTBLTA4H
SCHEMBL6888575 0.82 HRAS (0.64) HRASFNTAFNTBLTA4HMME
SCHEMBL6888618 0.81 HRAS (0.73) HRASFNTAFNTBLTA4HMME
SCHEMBL6887273 0.80 HRAS (0.59) HRASFNTAFNTBLTA4HMME
SCHEMBL8590100 0.80 HRAS (0.59) HRASFNTAFNTBLTA4HMME
SCHEMBL6887268 0.79 HRAS (0.73) HRASFNTAFNTBLTA4HMME

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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