SCHEMBL8669186

SCHEMBL8669186

CN(C(=O)OC(C)(C)C)C1N=C(c2ccccc2)c2ccccc2N(CC(=O)O)C1=O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 6/20 0.50
CCKAR P32238 5/20 0.50
HDAC3 O15379 4/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
HDAC8 Q9BY41 3/20 0.47
SCN9A Q15858 2/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL8667987 0.89 HTR2B (0.51) CCKBRCCKARTP53
SCHEMBL8669391 0.82 PDE4D (0.47) CCKBRCCKARTP53
SCHEMBL8801152 0.81 FNTA (0.56) CCKBRCCKARHDAC3HDAC1HDAC6
SCHEMBL8669226 0.81 CCKBR (0.50) CCKBRCCKARTP53
SCHEMBL8667933 0.79 CCKBR (0.62) CCKBRCCKARSCN9A
SCHEMBL8669189 0.78 CCKBR (0.58) CCKBRCCKARHDAC3HDAC1HDAC6
SCHEMBL12893392 0.76 TP53 (0.65) CCKBRCCKARHDAC3HDAC1HDAC6
SCHEMBL9865396 0.74 GABRP (0.62) CCKBRCCKARHDAC3HDAC1HDAC6
SCHEMBL2687533 0.74 GABRP (0.62) CCKBRCCKARHDAC3HDAC1HDAC6
SCHEMBL30320115 0.74 GABRP (0.62) CCKBRCCKARHDAC3HDAC1HDAC6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5843941-A Ras farnesyl transferase inhibitors GENENTECH, INC. (US) 1998-12-01 US disclosed
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