SCHEMBL5178774

SCHEMBL5178774

CC1C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(OC(F)(F)F)ccc1N

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CETP P11597 20/20 0.51
NR1I2 O75469 3/20 0.51

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
SCHEMBL531341 1.00 CETP (0.51) CETPNR1I2
SCHEMBL17998199 1.00 CETP (0.51) CETPNR1I2
SCHEMBL5240943 1.00 CETP (0.51) CETPNR1I2
SCHEMBL531640 0.88 CETP (0.51) CETPNR1I2
SCHEMBL531641 0.88 CETP (0.51) CETPNR1I2
SCHEMBL5178599 0.88 CETP (0.51) CETPNR1I2
SCHEMBL531781 0.88 CETP (0.51) CETPNR1I2
SCHEMBL13226964 0.87 CETP (0.50) CETPNR1I2
SCHEMBL4795200 0.85 CETP (0.49) CETPNR1I2
SCHEMBL5180158 0.85 CETP (0.52) 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 2 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-2006014413-A1 CETP INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO disclosed