SCHEMBL457940

SCHEMBL457940

COCCCOc1cc(C(OC(=O)C(C)C)[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.67

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
SCHEMBL7303998 0.90 REN (0.74) REN
SCHEMBL7296609 0.90 REN (0.74) REN
SCHEMBL2434472 0.83 REN (0.63) REN
SCHEMBL15210023 0.81 REN (0.83) REN
SCHEMBL2434475 0.81 REN (0.58) REN
Aliskiren SCHEMBL455490 0.80 REN (1.00) REN
Aliskiren SCHEMBL13320734 0.80 REN (1.00) REN
Aliskiren SCHEMBL3476537 0.80 REN (1.00) REN
Aliskiren SCHEMBL7965529 0.80 REN (1.00) REN
Aliskiren SCHEMBL3476535 0.80 REN (1.00) REN

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-2012034065-A1 ALISKIREN INTERMEDIATES AND A PROCESS FOR ANALYZING THE PURITY OF ALISKIREN TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2012-03-15 WO disclosed