SCHEMBL8801940

SCHEMBL8801940

CCOC(=O)[C@H](CCSC)NC(=O)CN1C(=O)C(NCC(=O)C2CSC(C)N2)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 5/20 0.47
CCKAR P32238 3/20 0.47
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
OXTR P30559 4/20 0.41

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
SCHEMBL8803112 0.79 FNTA (0.45) CCKBRCCKARFNTAFNTBOXTR
SCHEMBL8801155 0.77 FNTA (0.51) CCKBRCCKARFNTAFNTBOXTR
SCHEMBL8802185 0.73 FNTA (0.59) CCKBRCCKARFNTAFNTBOXTR
SCHEMBL8801333 0.73 FNTA (0.52) CCKBRCCKARFNTAFNTBOXTR
SCHEMBL8801920 0.73 FNTA (0.51) CCKBRCCKARFNTAFNTBOXTR
SCHEMBL15221506 0.72 FNTA (0.56) CCKBRCCKARFNTAFNTBOXTR
SCHEMBL8801152 0.70 FNTA (0.56) CCKBRCCKARFNTAFNTBOXTR
SCHEMBL8940414 0.69 FNTA (0.54) CCKBRCCKARFNTAFNTBOXTR
SCHEMBL29450579 0.68 FNTA (0.74) CCKBRCCKARFNTAFNTBOXTR
SCHEMBL8801488 0.68 FNTA (0.51) CCKBRCCKARFNTAFNTBOXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0763537-A2 Non-peptidyl Ras farnesyl transferase inhibitors GENENTECH, INC. (US) 1997-03-19 EP disclosed
EP-0698015-A1 PREPARATION OF N-CYANODITHIOIMINO-CARBONATES AND 3-MERCAPTO-5-AMINO-1H-1,2,4-TRIAZOLE GENENTECH, INC. (US) 1996-02-28 EP disclosed
WO-1994026723-A2 ras FARNESYL TRANSFERASE INHIBITORS GENENTECH, INC. (US) 1994-11-24 WO disclosed