SCHEMBL7941299

SCHEMBL7941299

CN(C(=O)[C@@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRAS P01112 8/20 0.46
CTSS P25774 4/20 0.46
CTSK P43235 4/20 0.46
PSMB1 P20618 1/20 0.45
PSMB8 P28062 1/20 0.45
PSMB9 P28065 1/20 0.45
PSMB5 P28074 1/20 0.45
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
CTSL P07711 3/20 0.44
CTSB P07858 2/20 0.44
CA5A P35218 1/20 0.43
CA4 P22748 1/20 0.43
EPHX2 P34913 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 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
SCHEMBL6885242 1.00 HRAS (0.46) HRASCTSSCTSKPSMB1PSMB8
SCHEMBL6885238 1.00 HRAS (0.46) HRASCTSSCTSKPSMB1PSMB8
SCHEMBL6888605 0.92 HRAS (0.53) HRASCTSSCTSKFNTAFNTB
SCHEMBL6890934 0.88 HRAS (0.56) HRASCTSSCTSKPSMB1PSMB8
SCHEMBL6888608 0.85 HRAS (0.46) HRASCTSSCTSKFNTAFNTB
SCHEMBL6887237 0.83 HRAS (0.51) HRASITGB3ITGA2B
SCHEMBL7953187 0.81 HRAS (0.58) HRASFNTAFNTB
SCHEMBL8618694 0.81 HRAS (0.46) HRASCTSSCTSKFNTAFNTB
SCHEMBL6890313 0.80 HRAS (0.58) HRASFNTAFNTB
SCHEMBL27538673 0.80 HRAS (0.43) HRASCTSSCTSKFNTAFNTB

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