SCHEMBL4640683

SCHEMBL4640683

COc1ccc(CCNc2cc(-c3cccc(-c4cc(S(C)(=O)=O)no4)c3)nc(OC)n2)cc1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 20/20 0.76

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
SCHEMBL4492277 0.87 PTGDR (1.00) PTGDR
SCHEMBL4492174 0.85 PTGDR (1.00) PTGDR
SCHEMBL4506638 0.81 PTGDR (1.00) PTGDR
SCHEMBL4504463 0.81 PTGDR (0.84) PTGDR
SCHEMBL4497266 0.80 PTGDR (0.82) PTGDR
SCHEMBL4503850 0.80 PTGDR (0.79) PTGDR
SCHEMBL4957274 0.79 PTGDR (0.76) PTGDR
SCHEMBL4501735 0.79 PTGDR (1.00) PTGDR
SCHEMBL4511595 0.79 PTGDR (1.00) PTGDR
SCHEMBL4513204 0.79 PTGDR (0.79) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891019-A2 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2008-02-27 EP disclosed
WO-2006044732-A2 2, 6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-04-27 WO disclosed