SCHEMBL4957239

SCHEMBL4957239

COc1ccc(CCNc2cc(-c3cccc(C(=O)NCC=N)c3)nc(OC)n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 20/20 0.74

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
SCHEMBL9912190 0.86 PTGDR (0.74) PTGDR
SCHEMBL4489730 0.86 PTGDR (0.79) PTGDR
SCHEMBL4500167 0.85 PTGDR (1.00) PTGDR
SCHEMBL4489699 0.85 PTGDR (0.85) PTGDR
SCHEMBL4490303 0.84 PTGDR (0.83) PTGDR
SCHEMBL4504426 0.84 PTGDR (0.76) PTGDR
SCHEMBL9911095 0.82 PTGDR (0.73) PTGDR
SCHEMBL4619003 0.81 PTGDR (0.74) PTGDR
SCHEMBL4503850 0.81 PTGDR (0.79) PTGDR
SCHEMBL4957274 0.80 PTGDR (0.76) PTGDR

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-2008039882-A1 A COMBINATION OF NIACIN AND A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST SANOFI-AVENTIS U.S. LLC (US) 2008-04-03 WO disclosed