SCHEMBL5167339

SCHEMBL5167339

COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CNC(CO)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CETP P11597 20/20 0.54
NR1I2 O75469 1/20 0.46

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
SCHEMBL531533 0.90 CETP (0.60) CETPNR1I2
SCHEMBL531654 0.83 CETP (0.54) CETPNR1I2
SCHEMBL531379 0.80 CETP (0.63) CETPNR1I2
SCHEMBL5165509 0.80 CETP (0.54) CETPNR1I2
SCHEMBL532086 0.79 CETP (0.60) CETPNR1I2
SCHEMBL5179065 0.79 CETP (0.60) CETPNR1I2
SCHEMBL5167855 0.78 CETP (0.59) CETPNR1I2
SCHEMBL9885317 0.78 CETP (0.64) CETPNR1I2
SCHEMBL3301815 0.78 CETP (0.66) CETPNR1I2
SCHEMBL531402 0.78 CETP (0.54) CETPNR1I2

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
EP-1765793-A1 CETP INHIBITORS Merck and Co., Inc. (US) 2007-03-28 EP disclosed
WO-2006014357-A1 CETP INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO disclosed
WO-2006014413-A1 CETP INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO disclosed