SCHEMBL6567862

SCHEMBL6567862

O[C@H](CNC(c1cccc(Oc2ccc(F)cc2)c1)c1ccc(C(F)(F)F)cc1F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CETP P11597 8/20 0.40
PDE2A O00408 3/20 0.38
SLC6A9 P48067 1/20 0.37
MAPK14 Q16539 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
SLC7A5 Q01650 1/20 0.34
EGFR P00533 1/20 0.33
FFAR1 O14842 1/20 0.33
CYP2C9 P11712 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1C Q13936 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
SCHEMBL5671276 1.00 CETP (0.40) CETPPDE2ASLC6A9MAPK14TLR8
SCHEMBL6569007 0.94 CETP (0.40) CETPPDE2AMAPK14
SCHEMBL5668949 0.94 CETP (0.40) CETPPDE2AMAPK14
SCHEMBL994517 0.92 CETP (0.41) CETPPDE2AMAPK14TLR8TLR7
SCHEMBL6274625 0.92 CETP (0.41) CETPPDE2AMAPK14TLR8TLR7
SCHEMBL1565225 0.92 CETP (0.41) CETPSLC6A9MAPK14TLR8TLR7
SCHEMBL5671186 0.92 CETP (0.41) CETPSLC6A9MAPK14TLR8TLR7
SCHEMBL5669024 0.90 PDE2A (0.42) CETPPDE2AFFAR1
SCHEMBL1899039 0.90 PDE2A (0.42) CETPPDE2AFFAR1
SCHEMBL5668754 0.89 CETP (0.42) CETPPDE2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1469831-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A SOLID AMORPHOUS DISPERSION OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS Pfizer Products Inc. (US) 2004-10-27 EP disclosed
EP-1401399-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING POLYMER AND DRUG ASSEMBLIES Pfizer Products Inc. (US) 2004-03-31 EP disclosed
WO-2003063832-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A SOLID AMORPHOUS DISPERSION OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS PFIZER PRODUCTS INC. (US) 2003-08-07 WO disclosed
WO-2003000226-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING POLYMER AND DRUG ASSEMBLIES PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed