SCHEMBL8940414

SCHEMBL8940414

CSCC[C@H](NC(=O)CN1C(=O)C(NC(=O)C(N)CS)N=C(c2ccccc2)c2ccccc21)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.54
FNTB P49356 2/20 0.54
OXTR P30559 8/20 0.52
CCKBR P32239 4/20 0.51
KCNH2 Q12809 1/20 0.51
CCKAR P32238 1/20 0.48
PGGT1B P53609 1/20 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
SCHEMBL8800985 0.89 OXTR (0.54) OXTRCCKBRKCNH2CCKAR
SCHEMBL8801329 0.86 CCKBR (0.49) FNTAFNTBOXTRCCKBRKCNH2
SCHEMBL8801416 0.85 FNTA (0.64) FNTAFNTBOXTRCCKBRCCKAR
SCHEMBL29520033 0.85 FNTA (0.64) FNTAFNTBOXTRCCKBRCCKAR
SCHEMBL15221506 0.84 FNTA (0.56) FNTAFNTBOXTRCCKBRCCKAR
SCHEMBL8801333 0.84 FNTA (0.52) FNTAFNTBOXTRCCKBRCCKAR
SCHEMBL8801627 0.82 FNTA (0.45) FNTAFNTBOXTRCCKBRPGGT1B
SCHEMBL8801337 0.80 FNTA (0.63) FNTAFNTBOXTRCCKBRCCKAR
SCHEMBL8802465 0.79 FNTA (0.55) FNTAFNTBOXTRCCKBRCCKAR
SCHEMBL8672807 0.79 CCKBR (0.59) CCKBRKCNH2CCKAR

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
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