SCHEMBL1734868

SCHEMBL1734868

Cc1cc(C#N)cc2nc(-c3ccc(NC(=O)CC4CCN(C(C(=O)O)C(C)(C)C)CC4)cc3)oc12

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CETP P11597 20/20 0.73

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
SCHEMBL4537273 0.85 CETP (0.73) CETP
SCHEMBL1735995 0.84 CETP (1.00) CETP
SCHEMBL13676808 0.83 CETP (0.82) CETP
SCHEMBL4531439 0.76 CEPT1 (0.68) CETP
SCHEMBL1735035 0.76 CEPT1 (0.70) CETP
SCHEMBL1734864 0.75 CETP (0.82) CETP
SCHEMBL4535501 0.75 CETP (1.00) CETP
SCHEMBL1734979 0.74 CETP (1.00) CETP
SCHEMBL17538398 0.74 CETP (0.81) CETP
SCHEMBL1734885 0.73 CETP (0.82) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954287-B2 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-02-24 EP disclosed
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
EP-1954287-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2011-11-16 EP disclosed
US-20110262658-A1 PROCESS AND DEVICE FOR TREATING THE COATING OF THERMOPLASTIC RESIN CONTAINERS ZOPPAS MATTEO 2011-10-27 US disclosed