SCHEMBL9438009

SCHEMBL9438009

NCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCOc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.53

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
SCHEMBL9438108 0.91 REN (0.50) REN
SCHEMBL9438027 0.91 REN (0.53) REN
Hydrochloric Acid SCHEMBL9438095 0.90 REN (0.52) REN
SCHEMBL7276895 0.88 REN (0.68) REN
SCHEMBL9438069 0.86 REN (0.50) REN
SCHEMBL7276816 0.86 REN (0.67) REN
SCHEMBL9437959 0.85 REN (0.57) REN
SCHEMBL9438195 0.82 REN (0.49) REN
SCHEMBL9438008 0.81 REN (0.49) REN
Hydrochloric Acid SCHEMBL9554504 0.81 REN (0.49) 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
US-5328916-A Renin inhibitors, hypotensive agents MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-07-12 US disclosed
EP-0456039-A2 Renin inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1991-11-13 EP disclosed