SCHEMBL4641925

SCHEMBL4641925

CCC(C)(C(=O)O)c1cccc(-c2cc(NCCc3ccc(Cl)cc3Cl)nc(OC)n2)c1

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 20/20 0.83

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
SCHEMBL29832387 0.91 PTGDR (1.00) PTGDR
SCHEMBL2563601 0.91 PTGDR (1.00) PTGDR
Hydrochloric Acid SCHEMBL4501077 0.90 PTGDR (0.98) PTGDR
SCHEMBL4489727 0.88 PTGDR (1.00) PTGDR
Phosphoric Acid SCHEMBL2470864 0.88 PTGDR (0.93) PTGDR
SCHEMBL4500130 0.87 PTGDR (0.87) PTGDR
SCHEMBL3136584 0.87 PTGDR (0.80) PTGDR
SCHEMBL4142580 0.86 PTGDR (0.85) PTGDR
SCHEMBL4489706 0.86 PTGDR (0.84) PTGDR
SCHEMBL4142625 0.85 PTGDR (0.86) 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