SCHEMBL4639792

SCHEMBL4639792

COc1cc(F)cc(C(CNC(=O)c2ccc(F)c(C(F)(F)F)c2)(c2ccccc2)c2ccc(Cl)cn2)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 17/20 0.57
▸ KCNQ3 O43525 1/20 0.39
▸ KCNQ2 O43526 1/20 0.39
▸ KCNE1 P15382 1/20 0.39
▸ KCNQ1 P51787 1/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ PPARA Q07869 1/20 0.39

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
SCHEMBL4640352 0.93 CETP (0.56) CETPKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL4639239 0.91 CETP (0.59) CETP
SCHEMBL4639314 0.89 CETP (0.58) CETPKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL1182381 0.82 CETP (0.82) CETP
SCHEMBL1182382 0.82 CETP (0.82) CETP
SCHEMBL12871524 0.77 CETP (0.74) CETP
SCHEMBL1182570 0.75 CETP (0.81) CETP
SCHEMBL1182566 0.75 CETP (0.81) CETP
SCHEMBL4639179 0.74 CETP (0.48) CETP
SCHEMBL4639127 0.74 CETP (0.53) 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
Send feedback