SCHEMBL7312002

SCHEMBL7312002

COCCCOc1cc(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)ccc1OCCCS(C)(=O)=O

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.85

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
Hydrochloric Acid SCHEMBL7302495 0.99 REN (0.85) REN
Aliskiren SCHEMBL13320734 0.92 REN (1.00) REN
Aliskiren SCHEMBL13351616 0.92 REN (1.00) REN
Aliskiren SCHEMBL29521564 0.92 REN (1.00) REN
Aliskiren SCHEMBL3476535 0.92 REN (1.00) REN
Aliskiren SCHEMBL7965529 0.92 REN (1.00) REN
Aliskiren SCHEMBL455490 0.92 REN (1.00) REN
Aliskiren SCHEMBL3476537 0.92 REN (1.00) REN
Aliskiren SCHEMBL3476540 0.92 REN (1.00) REN
Aliskiren SCHEMBL3397036 0.92 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0678503-B1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities NOVARTIS AG (CH) 1999-09-01 EP claimed
EP-0678503-A1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities CIBA-GEIGY AG (CH) 1995-10-25 EP claimed