SCHEMBL8803196

SCHEMBL8803196

CC(C)(C)OC(=O)CNC1N=C(c2ccccc2Cl)c2cc(Cl)ccc2N(CC(=O)O)C1=O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 10/20 0.47
CCKAR P32238 4/20 0.47
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
OPRK1 P41145 1/20 0.46
PDE4D Q08499 1/20 0.46
CYP1A2 P05177 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL8669229 0.92 CCKBR (0.57) CCKBRCCKAR
SCHEMBL8667990 0.92 CCKBR (0.55) CCKBRCCKAROPRK1PDE4DKCNH2
SCHEMBL8801216 0.82 CCKBR (0.39) CCKBRCCKARCHRM2ADRA2AOPRK1
SCHEMBL8669189 0.82 CCKBR (0.58) CCKBRCCKAR
SCHEMBL8669391 0.81 PDE4D (0.47) CCKBRCCKARCHRM2ADRA2AOPRK1
SCHEMBL8800940 0.80 CCKBR (0.64) CCKBRCCKAR
SCHEMBL8801767 0.77 BRD4 (0.41) CCKBROPRK1PDE4DCYP1A2
SCHEMBL8804138 0.76 CCKBR (0.42) CCKBRCCKAROPRK1KCNH2
SCHEMBL1574281 0.75 SENP1 (0.53) CCKBRCCKARCHRM2ADRA2AOPRK1
SCHEMBL8801355 0.74 HTT (0.43) CCKBRCCKAR

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 3 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
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