SCHEMBL758228

SCHEMBL758228

COC(=O)NCc1cc(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(F)cc(OC(F)(F)C(F)F)c2)ccc1F

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CETP P11597 20/20 0.65
KCNH2 Q12809 7/20 0.52

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
SCHEMBL757642 1.00 CETP (0.65) CETPKCNH2
SCHEMBL757289 0.94 CETP (0.68) CETPKCNH2
SCHEMBL760897 0.94 CETP (0.63) CETPKCNH2
SCHEMBL760898 0.94 CETP (0.63) CETPKCNH2
SCHEMBL759234 0.94 CETP (0.66) CETPKCNH2
SCHEMBL759235 0.94 CETP (0.66) CETPKCNH2
SCHEMBL13144351 0.91 CETP (0.54) CETPKCNH2
SCHEMBL760959 0.91 CETP (0.66) CETPKCNH2
SCHEMBL760958 0.91 CETP (0.66) CETPKCNH2
SCHEMBL16315623 0.91 CETP (0.70) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954668-B9 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-03-21 EP claimed
EP-1954668-B1 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-09-28 EP claimed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US claimed
US-8642576-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-04 US disclosed