SCHEMBL4214903

SCHEMBL4214903

C[C@@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(F)ccc1Br

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CETP P11597 20/20 0.61
NR1I2 O75469 3/20 0.54

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
SCHEMBL531804 1.00 CETP (0.61) CETPNR1I2
SCHEMBL4214900 1.00 CETP (0.61) CETPNR1I2
SCHEMBL12434912 0.94 CETP (0.56) CETPNR1I2
SCHEMBL1060483 0.91 CETP (0.61) CETPNR1I2
SCHEMBL10243219 0.88 CETP (0.60) CETPNR1I2
SCHEMBL531776 0.88 CETP (0.60) CETPNR1I2
SCHEMBL13395309 0.88 CETP (0.60) CETPNR1I2
SCHEMBL3624254 0.88 CETP (0.60) CETPNR1I2
SCHEMBL532692 0.88 CETP (0.60) CETPNR1I2
SCHEMBL531864 0.87 CETP (0.61) 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-2029560-A2 1,3-OXAZOLIDIN-2-ONE DERIVATIVES USEEFUL AS CETP INHIBITORS Merck & Co., Inc. (US) 2009-03-04 EP disclosed
WO-2007079186-A2 1, 3-OXAZOLIDIN-2-ONE DERIVATIVES USEFUL AS CETP INHIBITORS MERCK & CO., INC. (US) 2007-07-12 WO disclosed