SCHEMBL17400348

SCHEMBL17400348

CCOc1ccc(-c2ccc(-c3cc(CC(=O)N=O)ccc3OC)c(CN(CC)C(=O)c3ccccc3)c2)cn1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.63
PTGDR Q13258 5/20 0.63
CYP3A4 P08684 3/20 0.63
TBXA2R P21731 4/20 0.42
CYP2C9 P11712 2/20 0.42
PTGIR P43119 2/20 0.42

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
SCHEMBL155945 0.92 PTGDR2 (0.66) PTGDR2PTGDRCYP3A4TBXA2RCYP2C9
SCHEMBL152376 0.90 PTGDR2 (0.64) PTGDR2PTGDRCYP3A4TBXA2RCYP2C9
SCHEMBL136353 0.83 PTGDR2 (0.67) PTGDR2PTGDRCYP3A4TBXA2RCYP2C9
SCHEMBL137147 0.81 PTGDR2 (0.65) PTGDR2PTGDRCYP3A4TBXA2RCYP2C9
SCHEMBL137965 0.81 PTGDR2 (0.65) PTGDR2PTGDRCYP3A4TBXA2RCYP2C9
SCHEMBL137382 0.80 PTGDR2 (0.66) PTGDR2PTGDRCYP3A4TBXA2RCYP2C9
SCHEMBL134776 0.79 PTGDR2 (0.62) PTGDR2PTGDRCYP3A4TBXA2RCYP2C9
SCHEMBL137393 0.79 PTGDR2 (0.88) PTGDR2PTGDRCYP3A4TBXA2RCYP2C9
SCHEMBL137898 0.78 PTGDR2 (0.60) PTGDR2PTGDRCYP3A4TBXA2RCYP2C9
SCHEMBL10324111 0.78 PTGDR2 (0.87) PTGDR2PTGDRCYP3A4TBXA2RCYP2C9

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
EP-2257524-B1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS BRICKELL BIOTECH INC (US) 2016-01-06 EP disclosed