SCHEMBL8801920

SCHEMBL8801920

COC(=O)[C@H](CCSC)NC(=O)CN1C(=O)C(NCC(=O)C(CS)NC(=O)OC(C)(C)C)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.51
FNTB P49356 1/20 0.51
SCN9A Q15858 7/20 0.46
CCKAR P32238 4/20 0.46
CCKBR P32239 2/20 0.46
OXTR P30559 2/20 0.41

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
SCHEMBL8801155 0.89 FNTA (0.51) FNTAFNTBSCN9ACCKARCCKBR
SCHEMBL8801922 0.86 FNTA (0.58) FNTAFNTBSCN9ACCKARCCKBR
SCHEMBL15221506 0.82 FNTA (0.56) FNTAFNTBSCN9ACCKARCCKBR
SCHEMBL8801333 0.81 FNTA (0.52) FNTAFNTBCCKARCCKBROXTR
SCHEMBL8801152 0.79 FNTA (0.56) FNTAFNTBSCN9ACCKARCCKBR
SCHEMBL8802185 0.78 FNTA (0.59) FNTAFNTBCCKARCCKBROXTR
SCHEMBL29450579 0.75 FNTA (0.74) FNTAFNTBCCKARCCKBROXTR
SCHEMBL8801627 0.74 FNTA (0.45) FNTAFNTBCCKBROXTR
SCHEMBL8940414 0.74 FNTA (0.54) FNTAFNTBCCKARCCKBROXTR
SCHEMBL8801940 0.73 CCKBR (0.47) FNTAFNTBCCKARCCKBROXTR

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