SCHEMBL8801839

SCHEMBL8801839

NC(CS)C(=O)CNC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCC(=O)O)C1=O

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 7/20 0.50
OXTR P30559 10/20 0.49
CCKAR P32238 3/20 0.47

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
SCHEMBL8800232 0.85 OXTR (0.49) CCKBROXTRCCKAR
SCHEMBL8800784 0.83 CCKBR (0.46) CCKBROXTRCCKAR
SCHEMBL8801333 0.83 FNTA (0.52) CCKBROXTRCCKAR
SCHEMBL8801821 0.81 FNTA (0.48) CCKBROXTRCCKAR
SCHEMBL8800767 0.81 CCKBR (0.44) CCKBROXTRCCKAR
SCHEMBL8801061 0.79 FNTA (0.46) CCKBROXTRCCKAR
SCHEMBL8801632 0.78 CCKBR (0.40) CCKBRCCKAR
SCHEMBL8801524 0.78 OXTR (0.48) CCKBROXTR
SCHEMBL8669120 0.77 CCKBR (0.44) CCKBRCCKAR
SCHEMBL9435434 0.76 FNTA (0.43) CCKBROXTRCCKAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994026723-A2 ras FARNESYL TRANSFERASE INHIBITORS GENENTECH, INC. (US) 1994-11-24 WO claimed
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