SCHEMBL3397671

SCHEMBL3397671

COC(=O)Cc1ccc(OC)c(-c2ccc(C(F)(F)F)cc2)c1CN(CC(C)(C)C)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CETP P11597 9/20 0.36
PTGDR2 Q9Y5Y4 5/20 0.35
TBXA2R P21731 2/20 0.35
PTGDR Q13258 2/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
MCHR1 Q99705 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
MAPT P10636 1/20 0.33
AKR1C3 P42330 1/20 0.33

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
SCHEMBL3394086 0.91 PTGDR2 (0.40) PTGDR2TBXA2RPTGDRPPARGPPARA
SCHEMBL3428160 0.90 PTGDR2 (0.42) CETPPTGDR2TBXA2RPTGDRPPARG
SCHEMBL3425673 0.87 MCHR1 (0.38) CETPPTGDR2TBXA2RPTGDRPPARG
SCHEMBL3430404 0.87 PTGDR2 (0.47) CETPPTGDR2TBXA2RPTGDRITGB1
SCHEMBL3427454 0.82 PTGDR2 (0.41) CETPPTGDR2TBXA2RPTGDRPPARG
SCHEMBL3434416 0.82 PTGDR2 (0.40) PTGDR2TBXA2RPTGDRITGB1ITGA4
SCHEMBL1361839 0.81 PTGDR2 (0.41) PTGDR2TBXA2RPTGDRPPARGPPARA
SCHEMBL3427902 0.81 PTGDR2 (0.47) PTGDR2TBXA2RPTGDRPPARGPPARA
SCHEMBL3406760 0.80 CD274 (0.39) PTGDR2PPARGPPARAMCHR1ITGB1
SCHEMBL1642693 0.80 PPARA (0.37) PTGDR2PPARGPPARAITGB1ITGA4

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