SCHEMBL14533962

SCHEMBL14533962

O=C(NC(Cc1ccccc1)(c1cccc(O)c1)c1cccc(OC(F)(F)F)c1)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 12/20 0.49
▸ ACHE P22303 1/20 0.43
▸ CHRM4 P08173 1/20 0.42
▸ FAAH O00519 1/20 0.42
▸ EPHX2 P34913 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ CACNA1B Q00975 2/20 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
SCHEMBL760289 0.83 CETP (0.55) CETPCHRM4
SCHEMBL758239 0.82 CETP (0.48) CETPCHRM4GAA
SCHEMBL13491799 0.81 CETP (0.68) CETPACHECHRM4FAAHEPHX2
SCHEMBL761589 0.80 POLB (0.56) CETPGAA
SCHEMBL13491795 0.80 CETP (0.67) CETPACHECHRM4FAAHEPHX2
SCHEMBL13094020 0.80 CETP (0.51) CETP
SCHEMBL759529 0.79 HTT (0.53) CETPGAA
SCHEMBL3068675 0.79 CETP (0.51) CETPGAA
SCHEMBL762013 0.79 CETP (0.51) CETPGAA
SCHEMBL13093995 0.78 FKBP1A (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-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 — — WO disclosed
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