SCHEMBL175980

SCHEMBL175980

CCOC(=O)CCCOc1cnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc(C(F)(F)F)cc(Br)c2OS(=O)(=O)CF)nc1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CETP P11597 9/20 0.37
PDK2 Q15119 2/20 0.32
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
GPBAR1 Q8TDU6 1/20 0.30

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
SCHEMBL135313 0.92 CETP (0.39) CETPPDK2GPBAR1
SCHEMBL130695 0.86 CETP (0.41) CETPPDK2GPBAR1
SCHEMBL132303 0.85 CETP (0.40) CETPPDK2GPBAR1
SCHEMBL131743 0.81 CETP (0.44) CETPPDK2GPBAR1
SCHEMBL134654 0.81 CETP (0.42) CETPPDK2
SCHEMBL1588147 0.80 CETP (0.41) CETPPDK2GPBAR1
SCHEMBL131317 0.80 CETP (0.40) CETPPDK2
SCHEMBL1587427 0.79 CETP (0.41) CETPPDK2GPBAR1
SCHEMBL1588012 0.79 CETP (0.41) CETPPDK2
SCHEMBL5071423 0.79 CETP (0.44) CETP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979331-B1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-07 EP disclosed