SCHEMBL6281114

SCHEMBL6281114

O[C@H](CNC(c1cccc(Oc2cccc(OC(F)F)c2)c1)c1cc(C(F)(F)F)ccc1F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CETP P11597 15/20 0.39
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
KCNH2 Q12809 2/20 0.34

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
SCHEMBL6568885 1.00 CETP (0.39) CETPIDO1TDO2MEN1LMNA
SCHEMBL1896658 0.93 FFAR1 (0.39) CETPMEN1LMNAMAPTHTT
SCHEMBL6568209 0.93 CETP (0.47) CETP
SCHEMBL6566955 0.93 CETP (0.47) CETP
SCHEMBL6274584 0.93 FFAR1 (0.39) CETPMEN1LMNAMAPTHTT
SCHEMBL6570065 0.91 CETP (0.42) CETP
SCHEMBL1901812 0.91 CETP (0.42) CETP
SCHEMBL6566052 0.90 IDO1 (0.43) CETPIDO1TDO2
SCHEMBL6568878 0.90 IDO1 (0.43) CETPIDO1TDO2
SCHEMBL5669293 0.89 CETP (0.36) CETPIDO1TDO2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005117869-A1 COMBINATIONS COMPRISING (S)-AMLODIPINE AND A CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITOR, AND METHODS FOR REDUCING HYPERTENSION SEPRACOR INC. (US) 2005-12-15 WO disclosed
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