SCHEMBL13746086

SCHEMBL13746086

CCc1ccc(OC)c(-c2ccc(C(F)(F)F)cc2CN(CC)C(=O)C2CC2)c1

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 18/20 0.84
▸ CETP P11597 2/20 0.67
▸ TBXA2R P21731 3/20 0.64
▸ PTGDR Q13258 3/20 0.64
▸ CYP3A4 P08684 2/20 0.58
▸ CYP2C9 P11712 2/20 0.58
▸ PTGIR P43119 2/20 0.58

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
SCHEMBL138779 0.92 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL253825 0.91 PTGDR2 (0.85) PTGDR2CETPTBXA2RPTGDRCYP3A4
SCHEMBL150210 0.91 PTGDR2 (0.85) PTGDR2CETPTBXA2RPTGDRCYP3A4
SCHEMBL29402580 0.91 PTGDR2 (0.85) PTGDR2CETPTBXA2RPTGDRCYP3A4
SCHEMBL150186 0.90 PTGDR2 (0.78) PTGDR2CETPTBXA2RPTGDRCYP3A4
SCHEMBL154283 0.89 PTGDR2 (0.82) PTGDR2CETPTBXA2RPTGDRCYP3A4
SCHEMBL142820 0.88 PTGDR2 (0.93) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL136971 0.88 PTGDR2 (0.93) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL150112 0.86 PTGDR2 (0.77) PTGDR2CETPTBXA2RPTGDRCYP3A4
SCHEMBL155446 0.86 PTGDR2 (0.71) PTGDR2CETPTBXA2RPTGDRCYP3A4

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-2009099902-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-13 — — WO disclosed
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