SCHEMBL4639394

SCHEMBL4639394

CC(C)(C)[S+]([O-])NCC(c1cc(F)cc(C(F)(F)F)c1)(c1ccccn1)c1ccc(Cl)cn1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 20/20 0.46
▸ KCNH2 Q12809 1/20 0.42

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
SCHEMBL4639727 0.90 CETP (0.49) CETPKCNH2
SCHEMBL4639699 0.88 CETP (0.42) CETP
SCHEMBL4639333 0.82 CETP (0.41) CETPKCNH2
SCHEMBL4640342 0.82 CETP (0.41) CETP
SCHEMBL4639169 0.81 CETP (0.46) CETP
SCHEMBL4639790 0.79 CETP (0.43) CETP
SCHEMBL1183793 0.78 CETP (0.60) CETPKCNH2
SCHEMBL1183795 0.78 CETP (0.60) CETPKCNH2
SCHEMBL27776264 0.78 CETP (0.60) CETPKCNH2
SCHEMBL4639343 0.74 CETP (0.67) 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
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