SCHEMBL3410034

SCHEMBL3410034

CCOC(=O)Cc1ccc(OC)c(-c2ccc(C(F)(F)F)cc2C(NC(=O)NCc2ccccn2)C(C)I)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TBXA2R P21731 4/20 0.40
PTGDR Q13258 4/20 0.40
PKM P14618 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
PTGIR P43119 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
SORT1 Q99523 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
SCHEMBL3411957 0.92 PTGDR2 (0.52) PTGDR2KMT2AMEN1CYP1A2CYP2C19
SCHEMBL150948 0.89 KMT2A (0.45) PTGDR2KMT2AMEN1CYP1A2CYP2C19
SCHEMBL3412190 0.89 PTGDR2 (0.45) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL3409056 0.88 NAMPT (0.46) PTGDR2KMT2ANPSR1TBXA2RPTGDR
SCHEMBL154194 0.81 PTGDR2 (0.51) PTGDR2KMT2AMEN1CYP1A2CYP2C19
SCHEMBL150947 0.80 PTGDR2 (0.68) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL136731 0.79 PTGDR2 (0.53) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL153221 0.78 PTGDR2 (0.45) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL154926 0.77 PTGDR2 (0.55) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL10271994 0.77 PTGDR2 (0.55) 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