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SCHEMBL14533763

SCHEMBL14533763

N[C@](Cc1ccccc1)(c1ccc(F)cc1)c1cc(F)cc(OC(F)(F)C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 18/20 0.39
▸ KIF11 P52732 2/20 0.39
▸ KCNH2 Q12809 9/20 0.37
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL760632 0.86 CETP (0.48) CETPKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL757300 0.80 CETP (0.51) CETPKIF11KCNH2
SCHEMBL757681 0.80 CETP (0.51) CETPKIF11KCNH2
SCHEMBL843066 0.80 CETP (0.51) CETPKIF11KCNH2
SCHEMBL758861 0.76 CETP (0.44) CETPKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL758862 0.76 CETP (0.44) CETPKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL761806 0.75 CETP (0.49) CETPKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL761807 0.75 CETP (0.49) CETPKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL13092065 0.75 KIF11 (0.46) CETPKIF11KCNH2
SCHEMBL759839 0.74 CETP (0.47) CETPKCNH2CYP1A2CYP3A4CYP2D6

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-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 — — WO disclosed