SCHEMBL8801524

SCHEMBL8801524

NC(CS)C(=O)CNC1N=C(c2ccccc2)c2cc(Cl)ccc2N(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)C1=O

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OXTR P30559 10/20 0.48
CCKBR P32239 7/20 0.48

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
SCHEMBL8801627 0.89 FNTA (0.45) OXTRCCKBR
SCHEMBL8801536 0.83 OXTR (0.45) OXTRCCKBR
SCHEMBL8674482 0.81 LMNA (0.44) CCKBR
SCHEMBL8677103 0.81 CCKBR (0.42) OXTRCCKBR
SCHEMBL8670555 0.79 LMNA (0.44) CCKBR
SCHEMBL8801083 0.79 OXTR (0.48) OXTRCCKBR
SCHEMBL8676259 0.79 CCKBR (0.43) CCKBR
SCHEMBL8800205 0.78 OXTR (0.51) OXTRCCKBR
SCHEMBL8801839 0.78 CCKBR (0.50) OXTRCCKBR
SCHEMBL8674323 0.77 LMNA (0.42) CCKBR

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