SCHEMBL8800775

SCHEMBL8800775

CN(C(=O)C(N)CS)C1N=C(c2ccccc2)c2ccccc2N(CC(=O)N(CC(=O)O)Cc2ccccc2)C1=O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
CCKBR P32239 8/20 0.42
CCKAR P32238 3/20 0.42
OXTR P30559 2/20 0.41
KCNH2 Q12809 1/20 0.41
BDKRB2 P30411 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
TSPO P30536 1/20 0.38
SENP1 Q9P0U3 1/20 0.36

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
SCHEMBL8800222 0.90 FNTA (0.46) FNTAFNTBCCKBRCCKAROXTR
SCHEMBL8801821 0.82 FNTA (0.48) FNTAFNTBCCKBRCCKAROXTR
SCHEMBL8800784 0.82 CCKBR (0.46) CCKBRCCKAROXTRKCNH2SENP1
SCHEMBL8667954 0.82 CCKBR (0.48) FNTAFNTBCCKBRCCKARKCNH2
SCHEMBL8674133 0.82 CCKBR (0.48) FNTAFNTBCCKBRCCKARKCNH2
SCHEMBL8800789 0.81 FNTA (0.51) FNTAFNTBCCKBRCCKAROXTR
SCHEMBL8801804 0.81 FNTA (0.54) FNTAFNTBCCKBRCCKAROXTR
SCHEMBL8800732 0.80 FNTA (0.50) FNTAFNTBCCKBRCCKAROXTR
SCHEMBL8802052 0.80 FNTA (0.51) FNTAFNTBCCKBRCCKAROXTR
SCHEMBL8667998 0.80 FNTA (0.42) FNTAFNTBCCKBRCCKARKCNH2

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