SCHEMBL6567135

SCHEMBL6567135

O[C@H](CNC(c1cccc(Oc2ccnc(C(F)(F)F)c2)c1)c1ccc(C(F)(F)F)cc1F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CETP P11597 5/20 0.36
PDE2A O00408 3/20 0.35
P2RY1 P47900 2/20 0.34
SCN9A Q15858 2/20 0.33
PNMT P11086 1/20 0.33
KDR P35968 1/20 0.33
RIPK2 O43353 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32

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
SCHEMBL5670143 1.00 CETP (0.36) CETPPDE2AP2RY1SCN9APNMT
SCHEMBL5670008 0.93 CETP (0.37) CETPP2RY1SCN9APNMTKDR
SCHEMBL6569043 0.93 CETP (0.37) CETPP2RY1SCN9APNMTKDR
SCHEMBL1899843 0.88 CETP (0.34) CETPPDE2AP2RY1SCN9ARIPK2
SCHEMBL5669603 0.88 CETP (0.34) CETPPDE2AP2RY1SCN9ARIPK2
SCHEMBL6569007 0.88 CETP (0.40) CETPPDE2A
SCHEMBL5668949 0.88 CETP (0.40) CETPPDE2A
SCHEMBL5669024 0.86 PDE2A (0.42) CETPPDE2A
SCHEMBL5671276 0.86 CETP (0.40) CETPPDE2A
SCHEMBL6567862 0.86 CETP (0.40) 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