SCHEMBL6274584

SCHEMBL6274584

OC(CNC(c1cccc(Oc2cccc(OC(F)F)c2)c1)c1ccc(C(F)(F)F)cc1F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
CYP2C9 P11712 1/20 0.39
KCNH2 Q12809 1/20 0.39
CACNA1C Q13936 1/20 0.39
CETP P11597 12/20 0.38
PDE2A O00408 3/20 0.37
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

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
SCHEMBL1896658 1.00 FFAR1 (0.39) FFAR1CYP2C9KCNH2CACNA1CCETP
SCHEMBL6568885 0.93 CETP (0.39) KCNH2CETPMEN1LMNAMAPT
SCHEMBL6281114 0.93 CETP (0.39) KCNH2CETPMEN1LMNAMAPT
SCHEMBL6571282 0.92 CETP (0.47) CETP
SCHEMBL1907151 0.92 CETP (0.47) CETP
SCHEMBL5668754 0.91 CETP (0.42) CETPPDE2A
SCHEMBL5671653 0.91 CETP (0.42) CETPPDE2A
SCHEMBL5668949 0.90 CETP (0.40) CETPPDE2A
SCHEMBL6569007 0.90 CETP (0.40) CETPPDE2A
SCHEMBL1899843 0.89 CETP (0.34) FFAR1CYP2C9KCNH2CACNA1CCETP

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 3 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
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