SCHEMBL13259249

SCHEMBL13259249

CC1Oc2ccc(C(C)(C)c3c(Cl)nc(SCc4c(F)cccc4Cl)n3-c3ccc(F)cc3)cc2O1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 10/20 0.53

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
SCHEMBL601588 0.86 GPBAR1 (0.57) GPBAR1
SCHEMBL13259965 0.86 GPBAR1 (0.54) GPBAR1
SCHEMBL13259062 0.85 GPBAR1 (0.73) GPBAR1
SCHEMBL603537 0.84 GPBAR1 (0.73) GPBAR1
SCHEMBL13259060 0.81 GPBAR1 (0.66) GPBAR1
SCHEMBL602777 0.78 GPBAR1 (0.55) GPBAR1
SCHEMBL602135 0.77 GPBAR1 (0.65) GPBAR1
SCHEMBL13259058 0.77 GPBAR1 (0.52) GPBAR1
SCHEMBL13259966 0.76 GPBAR1 (0.59) GPBAR1
SCHEMBL601636 0.76 GPBAR1 (0.53) 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