SCHEMBL6569043

SCHEMBL6569043

O[C@H](CNC(c1cccc(Oc2ccnc(C(F)(F)F)c2)c1)c1cc(C(F)(F)F)ccc1F)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CETP P11597 8/20 0.37
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
P2RY1 P47900 2/20 0.34
BRAF P15056 3/20 0.34
KDR P35968 3/20 0.34
SCN9A Q15858 2/20 0.33
PNMT P11086 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
SCHEMBL5670008 1.00 CETP (0.37) CETPIDO1TDO2P2RY1BRAF
SCHEMBL6567135 0.93 CETP (0.36) CETPP2RY1KDRSCN9APNMT
SCHEMBL5670143 0.93 CETP (0.36) CETPP2RY1KDRSCN9APNMT
SCHEMBL5669293 0.88 CETP (0.36) CETPIDO1TDO2BRAFKDR
SCHEMBL5669869 0.88 CETP (0.36) CETPIDO1TDO2BRAFKDR
SCHEMBL6566052 0.88 IDO1 (0.43) CETPIDO1TDO2
SCHEMBL6568878 0.88 IDO1 (0.43) CETPIDO1TDO2
SCHEMBL6277313 0.86 CETP (0.43) CETPIDO1TDO2
SCHEMBL1565225 0.86 CETP (0.41) CETPIDO1TDO2
SCHEMBL5671186 0.86 CETP (0.41) CETPIDO1TDO2

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