SCHEMBL9912283

SCHEMBL9912283

COc1ccc(CCNc2cc(-c3cccc(-c4nnn[nH]4)c3)nc(O)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 20/20 0.57

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
SCHEMBL4501173 0.90 PTGDR (0.71) PTGDR
SCHEMBL10475983 0.89 PTGDR (0.70) PTGDR
SCHEMBL10475984 0.89 PTGDR (0.70) PTGDR
SCHEMBL4494625 0.76 PTGDR (0.66) PTGDR
SCHEMBL4506118 0.76 PTGDR (0.72) PTGDR
SCHEMBL9912272 0.76 PTGDR (0.60) PTGDR
Hydrochloric Acid SCHEMBL4492644 0.76 PTGDR (0.65) PTGDR
SCHEMBL4496881 0.75 PTGDR (0.68) PTGDR
SCHEMBL9911104 0.75 PTGDR (0.68) PTGDR
SCHEMBL4505164 0.74 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 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