SCHEMBL6570310

SCHEMBL6570310

O[C@H](CNC(c1cccc(Oc2ccc(Cl)c(C(F)(F)F)c2)c1)c1ccc(C(F)(F)F)cc1F)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CETP P11597 5/20 0.45
TLR7 Q9NYK1 2/20 0.36
TLR8 Q9NR97 1/20 0.36
PDE2A O00408 2/20 0.35
RAF1 P04049 3/20 0.35
CASR P41180 1/20 0.34
CDK8 P49336 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
SCN9A Q15858 1/20 0.34
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 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
SCHEMBL6274761 0.93 CETP (0.46) CETPTLR7TLR8RAF1CASR
SCHEMBL6567090 0.93 CETP (0.46) CETPTLR7TLR8RAF1CASR
SCHEMBL6568317 0.89 CETP (0.59) CETPTLR7TLR8PDE2ACASR
SCHEMBL6571478 0.89 CETP (0.59) CETPTLR7TLR8PDE2ACASR
SCHEMBL5671276 0.88 CETP (0.40) CETPTLR7TLR8PDE2AKCNH2
SCHEMBL6567862 0.88 CETP (0.40) CETPTLR7TLR8PDE2AKCNH2
SCHEMBL6569007 0.88 CETP (0.40) CETPPDE2A
SCHEMBL5668949 0.88 CETP (0.40) CETPPDE2A
SCHEMBL6274625 0.86 CETP (0.41) CETPTLR7TLR8PDE2APPARG
SCHEMBL994517 0.86 CETP (0.41) CETPTLR7TLR8PDE2APPARG

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-1469831-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A SOLID AMORPHOUS DISPERSION OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS Pfizer Products Inc. (US) 2004-10-27 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