SCHEMBL9912202

SCHEMBL9912202

COc1nc(NCCc2ccc(Cl)cc2Cl)cc(-c2cccc(OC(C)(C)C(=O)CCO)c2)n1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 20/20 0.68

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
SCHEMBL13887687 0.92 PTGDR (0.68) PTGDR
SCHEMBL4508612 0.91 PTGDR (0.76) PTGDR
SCHEMBL4499718 0.88 PTGDR (0.67) PTGDR
SCHEMBL9912246 0.85 PTGDR (0.67) PTGDR
SCHEMBL9912245 0.83 PTGDR (0.71) PTGDR
SCHEMBL4491374 0.82 PTGDR (0.73) PTGDR
SCHEMBL4499612 0.82 PTGDR (0.76) PTGDR
SCHEMBL4496656 0.81 PTGDR (0.71) PTGDR
SCHEMBL4489710 0.81 PTGDR (1.00) PTGDR
SCHEMBL4500130 0.81 PTGDR (0.87) 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
US-8193183-B2 2,6-substituted-4-monosubstitutedamino-pyrimidine as prostaglandin D2 receptor antagonists AVENTIS PHARMACEUTICALS INC. (US) 2012-06-05 US disclosed
US-7517889-B2 2,6-substituted-4-monosubstitutedamino-pyrimidine as prostaglandin D2 receptor antagonists AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed