SCHEMBL3433653

SCHEMBL3433653

CCN(CS(=O)(=O)c1cc(F)ccc1-c1cc(CC(=O)O)ccc1OC)C(=O)NCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 19/20 0.62
TBXA2R P21731 3/20 0.46
PTGDR Q13258 3/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
PTGIR P43119 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL136272 0.86 PTGDR2 (0.81) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL142599 0.79 PTGDR2 (0.70) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL3433655 0.78 PTGDR2 (0.49) PTGDR2TBXA2RPTGDRCYP3A4SMN1; SMN2
SCHEMBL137332 0.78 PTGDR2 (0.68) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL137772 0.78 PTGDR2 (0.70) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL135309 0.77 PTGDR2 (0.78) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL16558833 0.76 PTGDR2 (0.76) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
Am-211 SCHEMBL138450 0.76 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
Am-211 SCHEMBL29433664 0.76 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL143473 0.76 PTGDR2 (0.89) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245002-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-11-03 EP disclosed
WO-2009099901-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed