SCHEMBL8940402

SCHEMBL8940402

CSCC[C@H](NC(=O)C(C)N1C(=O)C(NCC(=O)C(N)CS)N=C(c2ccccc2)c2ccccc21)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 8/20 0.46
FNTB P49356 8/20 0.46
PGGT1B P53609 6/20 0.44
CCKBR P32239 3/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL8801333 0.81 FNTA (0.52) FNTAFNTBCCKBR
SCHEMBL8801627 0.79 FNTA (0.45) FNTAFNTBPGGT1BCCKBR
SCHEMBL8801061 0.78 FNTA (0.46) FNTAFNTBCCKBRKCNH2
SCHEMBL8674499 0.78 CCKBR (0.46) FNTAFNTBCCKBRKCNH2
SCHEMBL8940414 0.77 FNTA (0.54) FNTAFNTBPGGT1BCCKBRKCNH2
SCHEMBL9435434 0.76 FNTA (0.43) FNTAFNTBCCKBRKCNH2
SCHEMBL8668005 0.76 CCKBR (0.48) FNTAFNTBCCKBRKCNH2
SCHEMBL8674240 0.75 CCKBR (0.43) FNTAFNTBCCKBRKCNH2
SCHEMBL8669411 0.74 CCKBR (0.43) FNTAFNTBCCKBRKCNH2
SCHEMBL8667984 0.73 CCKBR (0.42) CCKBRKCNH2

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