SCHEMBL8801329

SCHEMBL8801329

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

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 9/20 0.49
KCNH2 Q12809 1/20 0.49
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
OXTR P30559 1/20 0.46
CCKAR P32238 2/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 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
SCHEMBL8801061 0.90 FNTA (0.46) CCKBRKCNH2FNTAFNTBOXTR
SCHEMBL8801183 0.86 FNTA (0.53) CCKBRKCNH2FNTAFNTBOXTR
SCHEMBL8940414 0.86 FNTA (0.54) CCKBRKCNH2FNTAFNTBOXTR
SCHEMBL8672551 0.81 CCKBR (0.50) CCKBRKCNH2FNTAFNTBCCKAR
SCHEMBL9435434 0.80 FNTA (0.43) CCKBRKCNH2FNTAFNTBOXTR
SCHEMBL8800985 0.77 OXTR (0.54) CCKBRKCNH2OXTRCCKAR
SCHEMBL8672807 0.77 CCKBR (0.59) CCKBRKCNH2CCKARPSEN1PSEN2
SCHEMBL8672565 0.76 CCKBR (0.52) CCKBRKCNH2FNTAFNTBCCKAR
SCHEMBL15221506 0.75 FNTA (0.56) CCKBRFNTAFNTBOXTRCCKAR
SCHEMBL8801416 0.74 FNTA (0.64) CCKBRFNTAFNTBOXTRCCKAR

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