SCHEMBL10476013

SCHEMBL10476013

COc1ccc(CCNc2cc(-c3cccc4cccnc34)nc(OC)n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 19/20 0.69
CNR2 P34972 1/20 0.56

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
SCHEMBL9911090 0.82 PTGDR (0.79) PTGDR
SCHEMBL4502924 0.82 PTGDR (1.00) PTGDRCNR2
SCHEMBL4494350 0.81 PTGDR (1.00) PTGDR
SCHEMBL4502589 0.81 PTGDR (0.68) PTGDR
SCHEMBL4503850 0.78 PTGDR (0.79) PTGDR
SCHEMBL4493468 0.78 PTGDR (1.00) PTGDR
SCHEMBL4619763 0.78 PTGDR (0.68) PTGDR
SCHEMBL4497692 0.77 PTGDR (1.00) PTGDR
SCHEMBL4496591 0.77 PTGDR (0.70) PTGDR
SCHEMBL4640358 0.77 PTGDR (0.68) 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
EP-1891019-B1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMA INC (US) 2012-07-25 EP claimed