SCHEMBL8800418

SCHEMBL8800418

CN(C(=O)C(N)CSSC(C)(C)C)C1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccccc2)C(=O)OC2CCCCC2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
OXTR P30559 7/20 0.42
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
CCKBR P32239 3/20 0.38
KCNH2 Q12809 1/20 0.38
CCKAR P32238 3/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL8800443 0.94 CTSB (0.38) FNTAFNTBOXTRCTSLCTSB
SCHEMBL8801168 0.92 FNTA (0.52) FNTAFNTBOXTRCTSLCTSB
SCHEMBL8800911 0.86 FNTA (0.45) FNTAFNTBOXTRCTSLCTSB
SCHEMBL8669842 0.83 CCKBR (0.38) FNTAFNTBOXTRCTSLCTSB
SCHEMBL8801159 0.83 FNTA (0.60) FNTAFNTBOXTRCTSLCTSB
SCHEMBL8800669 0.82 FNTA (0.54) FNTAFNTBOXTRCTSLCTSB
SCHEMBL8801769 0.79 BRD4 (0.37) FNTAFNTBOXTRCTSLCTSB
SCHEMBL8674131 0.78 HTR2B (0.36) FNTAFNTBCCKBRKCNH2
Tetrazole SCHEMBL8801776 0.78 CTSB (0.38) OXTRCTSLCTSB
SCHEMBL8670222 0.78 FNTA (0.42) FNTAFNTBOXTRCTSLCTSB

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