SCHEMBL8800985

SCHEMBL8800985

NC(CS)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](CO)C(=O)O)C1=O

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OXTR P30559 10/20 0.54
CCKBR P32239 4/20 0.54
KCNH2 Q12809 1/20 0.54
CCKAR P32238 1/20 0.49

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
SCHEMBL8940414 0.89 FNTA (0.54) OXTRCCKBRKCNH2CCKAR
SCHEMBL8672807 0.83 CCKBR (0.59) CCKBRKCNH2CCKAR
SCHEMBL8801329 0.77 CCKBR (0.49) OXTRCCKBRKCNH2CCKAR
SCHEMBL8801804 0.77 FNTA (0.54) OXTRCCKBRCCKAR
SCHEMBL8801839 0.75 CCKBR (0.50) OXTRCCKBRCCKAR
SCHEMBL8801402 0.75 FNTA (0.51) OXTRCCKBRCCKAR
SCHEMBL8800789 0.75 FNTA (0.51) OXTRCCKBRKCNH2CCKAR
SCHEMBL15221506 0.74 FNTA (0.56) OXTRCCKBRCCKAR
SCHEMBL8801333 0.74 FNTA (0.52) OXTRCCKBRCCKAR
SCHEMBL7967402 0.74 CCKBR (0.79) OXTRCCKBRKCNH2CCKAR

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
EP-0763537-A2 Non-peptidyl Ras farnesyl transferase inhibitors GENENTECH, INC. (US) 1997-03-19 EP disclosed
US-5532359-A FUNGICIDES GENENTECH, INC. (US) 1996-07-02 US 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