SCHEMBL8800433

SCHEMBL8800433

CC(C)(C)OC(=O)NC1C=C(c2ccccc2F)c2cc(Cl)ccc2N(CC(=O)O)C1=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 9/20 0.46
CCKAR P32238 6/20 0.46
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CHRM1 P11229 1/20 0.37
SCN9A Q15858 1/20 0.37
TP53 P04637 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
HTR1A P08908 1/20 0.36
DRD3 P35462 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR3A P46098 1/20 0.36
KCNH2 Q12809 1/20 0.36
GHSR Q92847 1/20 0.36
CHRM3 P20309 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
SCHEMBL8801124 0.90 CCKBR (0.51) CCKBRCCKAR
SCHEMBL8804138 0.88 CCKBR (0.42) CCKBRCCKARALOX15HSD17B10CHRM1
SCHEMBL8804134 0.82 CCKBR (0.41) CCKBRCCKARALOX15HSD17B10CHRM1
SCHEMBL8800940 0.82 CCKBR (0.64) CCKBRCCKARSCN9A
SCHEMBL8801216 0.80 CCKBR (0.39) CCKBRCCKARALOX15HSD17B10OPRK1
SCHEMBL8801767 0.78 BRD4 (0.41) CCKBRALOX15HSD17B10TP53OPRK1
SCHEMBL8669318 0.77 CHRM1 (0.53) CCKBRCCKARCHRM1
SCHEMBL8669229 0.74 CCKBR (0.57) CCKBRCCKAR
SCHEMBL8801220 0.73 ALOX15 (0.40) CCKBRCCKARALOX15HSD17B10TP53
SCHEMBL8669226 0.73 CCKBR (0.50) CCKBRCCKARTP53HTR1ADRD3

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