SCHEMBL13259062

SCHEMBL13259062

CC1Oc2ccc(C(C)(C)c3cnc(SCc4c(F)cccc4Cl)n3-c3ccc(F)cc3)cc2O1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 17/20 0.73

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
SCHEMBL13259060 0.96 GPBAR1 (0.66) GPBAR1
SCHEMBL13259057 0.90 GPBAR1 (0.59) GPBAR1
SCHEMBL601000 0.88 GPBAR1 (0.71) GPBAR1
SCHEMBL601605 0.88 GPBAR1 (0.71) GPBAR1
SCHEMBL601244 0.87 GPBAR1 (0.80) GPBAR1
SCHEMBL604953 0.86 GPBAR1 (0.79) GPBAR1
SCHEMBL602115 0.86 GPBAR1 (0.79) GPBAR1
SCHEMBL602792 0.86 GPBAR1 (0.79) GPBAR1
SCHEMBL603934 0.86 GPBAR1 (0.79) GPBAR1
SCHEMBL13259965 0.86 GPBAR1 (0.54) 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