SCHEMBL4742348

SCHEMBL4742348

COc1ccc2cc(CNC(C)c3ccc(Br)cc3)c(-c3ccsc3)nc2c1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 19/20 0.68
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44

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
SCHEMBL4880271 1.00 GPBAR1 (0.68) GPBAR1PDGFRBPDGFRA
SCHEMBL4878289 1.00 GPBAR1 (0.68) GPBAR1PDGFRBPDGFRA
SCHEMBL4878795 0.87 GPBAR1 (0.67) GPBAR1
SCHEMBL4876524 0.87 GPBAR1 (0.67) GPBAR1
SCHEMBL4876511 0.87 GPBAR1 (0.67) GPBAR1
SCHEMBL14065464 0.87 GPBAR1 (0.71) GPBAR1
SCHEMBL4876578 0.87 GPBAR1 (0.71) GPBAR1
SCHEMBL4742085 0.81 GPBAR1 (1.00) GPBAR1
SCHEMBL4878290 0.79 GPBAR1 (0.55) GPBAR1PDGFRBPDGFRA
SCHEMBL4785431 0.78 GPBAR1 (0.88) 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-2008097976-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-08-14 WO disclosed