SCHEMBL8800784

SCHEMBL8800784

NC(CS)C(=O)CNC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N(CC(=O)O)Cc2ccccc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 10/20 0.46
CCKAR P32238 3/20 0.45
OXTR P30559 3/20 0.44
KCNH2 Q12809 1/20 0.44
SENP1 Q9P0U3 1/20 0.43

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 0.88 OXTR (0.49) CCKBRCCKAROXTRKCNH2
SCHEMBL8800767 0.86 CCKBR (0.44) CCKBRCCKAROXTR
SCHEMBL8801839 0.83 CCKBR (0.50) CCKBRCCKAROXTR
SCHEMBL8800775 0.82 FNTA (0.43) CCKBRCCKAROXTRKCNH2SENP1
SCHEMBL8801061 0.79 FNTA (0.46) CCKBRCCKAROXTRKCNH2
SCHEMBL8668005 0.78 CCKBR (0.48) CCKBROXTRKCNH2SENP1
SCHEMBL9435434 0.76 FNTA (0.43) CCKBRCCKAROXTRKCNH2
SCHEMBL8801333 0.75 FNTA (0.52) CCKBRCCKAROXTR
SCHEMBL8801632 0.74 CCKBR (0.40) CCKBRCCKARKCNH2SENP1
SCHEMBL8674221 0.74 CCKBR (0.51) CCKBRCCKAROXTRKCNH2SENP1

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