SCHEMBL13259082

SCHEMBL13259082

COc1cc(C(C)(C)c2cnc(C(=O)Nc3c(F)cccc3Cl)n2-c2ccc(F)cc2)ccc1C(C)O

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 12/20 0.50
DHODH Q02127 8/20 0.38

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
SCHEMBL602158 0.91 GPBAR1 (0.60) GPBAR1
SCHEMBL13259107 0.87 GPBAR1 (0.44) GPBAR1
SCHEMBL13259270 0.87 GPBAR1 (0.43) GPBAR1
SCHEMBL13259146 0.86 GPBAR1 (0.42) GPBAR1
SCHEMBL13259269 0.84 GPBAR1 (0.49) GPBAR1
SCHEMBL13259059 0.84 GPBAR1 (0.52) GPBAR1
SCHEMBL13259144 0.82 GPBAR1 (0.44) GPBAR1
SCHEMBL13259103 0.79 NPC1 (0.42) GPBAR1
SCHEMBL13259101 0.79 GPBAR1 (0.54) GPBAR1
SCHEMBL13259120 0.79 GPBAR1 (0.57) GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010093845-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY EXELIXIS, INC. (US) 2010-08-19 WO disclosed