SCHEMBL5067462

SCHEMBL5067462

CCOC(=O)CCNc1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(CCOC(=O)C2CCNCC2)cn1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.37
MGLL Q99685 1/20 0.34
SLC6A4 P31645 2/20 0.34
CETP P11597 3/20 0.34
CCR2 P41597 4/20 0.33
KCNH2 Q12809 4/20 0.33
CCRL2 O00421 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
SCHEMBL1587620 0.88 MGLL (0.38) TACR1MGLLSLC6A4CETP
SCHEMBL5067467 0.85 TACR1 (0.40) TACR1SLC6A4CETP
SCHEMBL5067463 0.84 TACR1 (0.36) TACR1SLC6A4CETP
SCHEMBL1587625 0.82 MGLL (0.41) MGLLCETP
SCHEMBL1588629 0.81 CETP (0.48) MGLLCETP
SCHEMBL1588002 0.81 CETP (0.45) MGLLCETP
SCHEMBL1587797 0.80 CETP (0.42) MGLLCETP
SCHEMBL1587794 0.79 CETP (0.38) MGLLCETP
SCHEMBL1588012 0.77 CETP (0.41) MGLLCETP
SCHEMBL5072379 0.76 TACR1 (0.43) TACR1

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