SCHEMBL13259883

SCHEMBL13259883

CC(C)(c1ccc(I)c(Cl)c1)c1cnc(SCc2c(F)cccc2Cl)n1-c1ccc(F)cc1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 20/20 0.76

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
SCHEMBL602792 0.92 GPBAR1 (0.79) GPBAR1
SCHEMBL602115 0.92 GPBAR1 (0.79) GPBAR1
SCHEMBL601244 0.91 GPBAR1 (0.80) GPBAR1
SCHEMBL603934 0.90 GPBAR1 (0.79) GPBAR1
SCHEMBL604953 0.90 GPBAR1 (0.79) GPBAR1
SCHEMBL10227756 0.89 GPBAR1 (0.78) GPBAR1
SCHEMBL603838 0.88 GPBAR1 (0.76) GPBAR1
SCHEMBL604454 0.88 GPBAR1 (0.74) GPBAR1
SCHEMBL601313 0.88 GPBAR1 (0.90) GPBAR1
SCHEMBL601987 0.88 GPBAR1 (0.76) 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