SCHEMBL5140944

SCHEMBL5140944

CCOC(=O)CCCOc1cnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc(C(F)(F)F)ccc2NC(CC)CO)nc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CETP P11597 13/20 0.40
MGLL Q99685 1/20 0.35
PPARG P37231 3/20 0.33
PPARD Q03181 3/20 0.33
PPARA Q07869 3/20 0.33
PDK2 Q15119 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL129882 1.00 CETP (0.40) CETPMGLLPPARGPPARDPPARA
SCHEMBL1588345 0.92 CETP (0.47) CETPMGLLPPARGPPARDPPARA
SCHEMBL1587728 0.89 CETP (0.37) CETPMGLLPPARGPPARDPPARA
SCHEMBL1588012 0.87 CETP (0.41) CETPMGLLPPARGPPARDPPARA
SCHEMBL1587625 0.87 MGLL (0.41) CETPMGLLPPARGPPARDPPARA
SCHEMBL134654 0.85 CETP (0.42) CETPPPARGPPARDPPARAPDK2
SCHEMBL1588203 0.84 CETP (0.44) CETPMGLLPPARGPPARDPPARA
SCHEMBL1588147 0.84 CETP (0.41) CETPPPARGPPARDPPARAPDK2
SCHEMBL1587666 0.83 GPBAR1 (0.47) CETPPDK2
SCHEMBL1587427 0.83 CETP (0.41) CETPPPARGPPARDPPARAPDK2

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-1979331-A1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP Mitsubishi Tanabe Pharma Corporation (JP) 2008-10-15 EP disclosed
WO-2007088996-A1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 WO disclosed