SCHEMBL3411491

SCHEMBL3411491

CCNC(=NC#N)N(Cc1ccc(OC)cc1)Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)ccc1OC

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.65
TBXA2R P21731 4/20 0.65
PTGDR Q13258 4/20 0.65
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
PTGIR P43119 2/20 0.57
CETP P11597 3/20 0.54

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
SCHEMBL17387620 0.91 PTGDR2 (0.66) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL149746 0.90 PTGDR2 (0.71) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL1258875 0.90 PTGDR2 (0.71) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL10272225 0.90 PTGDR2 (0.71) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL17387602 0.90 PTGDR2 (0.65) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL3428425 0.88 PTGDR2 (0.64) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL15021081 0.88 PTGDR2 (0.63) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL3428312 0.87 PTGDR2 (0.60) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL17387618 0.86 PTGDR2 (0.62) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL254184 0.86 PTGDR2 (0.71) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257524-B1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS BRICKELL BIOTECH INC (US) 2016-01-06 EP claimed
EP-2257524-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-12-08 EP claimed
WO-2009099902-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-13 WO claimed
EP-2257524-B1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS BRICKELL BIOTECH INC (US) 2016-01-06 EP disclosed