SCHEMBL9417283

SCHEMBL9417283

C=CCCC[C@@H](CN[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.71

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
SCHEMBL9417437 0.90 REN (0.66) REN
SCHEMBL10794397 0.81 REN (0.67) REN
SCHEMBL9417321 0.81 REN (0.56) REN
SCHEMBL10555025 0.81 REN (0.56) REN
SCHEMBL10557173 0.79 REN (0.52) REN
SCHEMBL9830108 0.79 REN (1.00) REN
SCHEMBL10609646 0.78 REN (0.74) REN
SCHEMBL7280845 0.75 REN (0.60) REN
SCHEMBL7266599 0.74 REN (0.58) REN
SCHEMBL5709671 0.74 PSEN1 (0.59) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0229667-B1 Peptidylaminodiols ABBOTT LAB (US) 1994-07-13 EP disclosed
US-5214129-A Amidation of a protected amino acid by an di-O-protected dihydroxy-containing amine and coupling with a carboxylic acid; deprotecting; renin inhibitors; hypotensive agents ABBOTT LABORATORIES (US) 1993-05-25 US disclosed
US-5091575-A Renin inhibitor ABBOTT LABORATORIES (US) 1992-02-25 US disclosed
US-5032577-A Hypotensive ABBOTT LABORATORIES (US) 1991-07-16 US disclosed
US-4845079-A HYPOTENSIVE, RENIN INHIBITION ABBOTT LABORATORIES 1989-07-04 US disclosed
EP-0229667-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1987-07-22 EP disclosed