SCHEMBL13428473

SCHEMBL13428473

Cc1ccc(CN(Cc2cc(C(F)(F)F)ccc2-c2cncc(CC(=O)O)c2)C(=O)C2CC2)cn1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.53

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
SCHEMBL3364968 0.91 PTGDR2 (0.51) PTGDR2
SCHEMBL13428260 0.90 PTGDR2 (0.51) PTGDR2
SCHEMBL1922427 0.88 PTGDR2 (0.53) PTGDR2
SCHEMBL1922872 0.87 PTGDR2 (0.65) PTGDR2
SCHEMBL16501949 0.85 PTGDR2 (0.43) PTGDR2
SCHEMBL1922453 0.84 PTGDR2 (0.50) PTGDR2
SCHEMBL13428445 0.84 PTGDR2 (0.51) PTGDR2
SCHEMBL13428241 0.83 PTGDR2 (0.46) PTGDR2
SCHEMBL13428431 0.82 PTGDR2 (0.51) PTGDR2
SCHEMBL3366639 0.82 PTGDR2 (0.51) PTGDR2

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
WO-2010037059-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 WO disclosed