SCHEMBL4732459

SCHEMBL4732459

NC(Cc1ccccc1)(c1cc(F)cc(S(=O)(=O)C(F)(F)F)c1)c1ccc(Cl)cn1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CETP P11597 20/20 0.47
KCNH2 Q12809 1/20 0.46

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
SCHEMBL1183068 0.85 CETP (0.61) CETPKCNH2
SCHEMBL843473 0.85 CETP (0.61) CETPKCNH2
SCHEMBL842119 0.85 CETP (0.61) CETPKCNH2
SCHEMBL1182345 0.80 CETP (0.51) CETP
SCHEMBL14534548 0.79 CETP (0.44) CETP
SCHEMBL842609 0.78 CETP (0.67) CETP
SCHEMBL842114 0.78 CETP (0.67) CETP
SCHEMBL1182749 0.78 CETP (0.67) CETP
SCHEMBL14534549 0.74 KIF11 (0.45) CETP
SCHEMBL1181984 0.72 CETP (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951673-A2 HETEROCYCLIC CETP INHIBITORS Bristol-Myers Squibb Company (US) 2008-08-06 EP disclosed
WO-2007062314-A2 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed