SCHEMBL3434148

SCHEMBL3434148

CCOC(=O)Cc1ccc(OC)c(-c2cccc(Br)c2CN(CC)C(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.44
TBXA2R P21731 4/20 0.42
PTGDR Q13258 4/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
PTGIR P43119 2/20 0.42
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
DRD2 P14416 1/20 0.37

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
SCHEMBL135880 0.84 PTGDR2 (0.51) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL3422370 0.79 PTGDR2 (0.44) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL3390392 0.77 PTGDR2 (0.44) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL3431947 0.77 PTGDR2 (0.59) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL3388917 0.76 PTGDR2 (0.46) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL134775 0.75 PTGDR2 (0.46) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL136352 0.74 PTGDR2 (0.53) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL137571 0.74 PTGDR2 (0.64) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL3434147 0.74 PTGDR2 (0.39) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL137311 0.73 PTGDR2 (0.63) 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-2257524-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-12-08 EP disclosed
WO-2009099902-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed