SCHEMBL13984061

SCHEMBL13984061

CC(C)c1cc(N)cc2nc(-c3ccc(C(=O)NCC4CCc5ccc(Cl)cc5CC4)cc3)oc12

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CETP P11597 20/20 0.60
KCNH2 Q12809 2/20 0.51

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
SCHEMBL13984145 0.93 CETP (0.54) CETPKCNH2
SCHEMBL2837246 0.88 CETP (0.77) CETPKCNH2
SCHEMBL13984060 0.88 CETP (0.50) CETPKCNH2
SCHEMBL13204377 0.88 CETP (0.55) CETPKCNH2
SCHEMBL13204555 0.86 CETP (0.55) CETPKCNH2
SCHEMBL13197468 0.84 CETP (0.68) CETPKCNH2
SCHEMBL13204322 0.81 CETP (0.51) CETPKCNH2
SCHEMBL13204329 0.80 CETP (0.68) CETPKCNH2
SCHEMBL13984062 0.79 CETP (0.53) CETPKCNH2
SCHEMBL13204342 0.79 CETP (0.48) CETPKCNH2

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
WO-2008156717-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC. (US) 2008-12-24 WO disclosed