SCHEMBL17538415

SCHEMBL17538415

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

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CETP P11597 20/20 0.72

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
SCHEMBL1734727 0.93 CETP (0.83) CETP
SCHEMBL17538397 0.91 CETP (0.86) CETP
SCHEMBL17538409 0.90 CETP (0.73) CETP
SCHEMBL1734979 0.84 CETP (1.00) CETP
SCHEMBL1733911 0.83 CETP (0.83) CETP
SCHEMBL14519100 0.83 CETP (0.69) CETP
SCHEMBL1734873 0.82 CETP (0.84) CETP
SCHEMBL1734733 0.82 CETP (0.84) CETP
SCHEMBL1736267 0.82 CETP (0.84) 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