SCHEMBL14540347

SCHEMBL14540347

COc1cc(F)c(C(C)C)cc1-c1ccc(CI)nc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CETP P11597 20/20 0.46
NR1I2 O75469 1/20 0.40

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
SCHEMBL2882016 0.90 CETP (0.48) CETPNR1I2
SCHEMBL2881497 0.90 CETP (0.48) CETPNR1I2
SCHEMBL2880941 0.87 CETP (0.47) CETPNR1I2
SCHEMBL2884577 0.85 CETP (0.61) CETPNR1I2
SCHEMBL2880060 0.81 CETP (0.48) CETPNR1I2
SCHEMBL13233508 0.79 CETP (0.53) CETPNR1I2
SCHEMBL13233510 0.75 CETP (0.47) CETPNR1I2
SCHEMBL4169245 0.73 CETP (0.60) CETPNR1I2
SCHEMBL2881413 0.71 CETP (0.61) CETPNR1I2
SCHEMBL12844108 0.71 CETP (0.52) 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
WO-2007041494-A2 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS MERCK & CO., INC. (US) 2007-04-12 WO disclosed