SCHEMBL3789499

SCHEMBL3789499

CC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(CCc2c(F)cc(C(=O)[C@](N)(CCCNC(=N)N)C(=O)O)cc2Cl)n1-c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 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
SCHEMBL10229378 0.85 GPBAR1 (0.39) GPBAR1
SCHEMBL604224 0.82 GPBAR1 (0.47) GPBAR1
SCHEMBL3789576 0.79 GPBAR1 (0.43) GPBAR1
SCHEMBL604146 0.79 GPBAR1 (0.45) GPBAR1
SCHEMBL602503 0.75 GPBAR1 (0.49) GPBAR1
SCHEMBL604015 0.73 GPBAR1 (0.54) GPBAR1
SCHEMBL12592387 0.73 GPBAR1 (0.44) GPBAR1
SCHEMBL605058 0.73 GPBAR1 (0.64) GPBAR1
SCHEMBL3789464 0.72 GPBAR1 (0.42) GPBAR1
SCHEMBL603074 0.71 GPBAR1 (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396304-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY Exelixis, Inc. (US) 2011-12-21 EP claimed
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 claimed