SCHEMBL17538409

SCHEMBL17538409

C=C(COC1CCN(C(=O)OC(C)(C)C)CC1)Nc1ccc(-c2nc3cc(C#N)cc(C(C)(C)O)c3o2)cc1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CETP P11597 20/20 0.73
CEPT1 Q9Y6K0 1/20 0.54

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
SCHEMBL1734733 0.93 CETP (0.84) CETPCEPT1
SCHEMBL17538397 0.92 CETP (0.86) CETPCEPT1
SCHEMBL17538415 0.90 CETP (0.72) CETP
SCHEMBL17538378 0.85 CETP (0.73) CETPCEPT1
SCHEMBL1734979 0.84 CETP (1.00) CETPCEPT1
SCHEMBL1733911 0.84 CETP (0.83) CETP
SCHEMBL1734873 0.83 CETP (0.84) CETP
SCHEMBL1736267 0.83 CETP (0.84) CETPCEPT1
SCHEMBL1734727 0.82 CETP (0.83) CETP
SCHEMBL1734658 0.82 CETP (0.83) 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
EP-1954287-B2 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-02-24 EP disclosed