SCHEMBL7324744

SCHEMBL7324744

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)c1ncc[nH]1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.48
CTSS P25774 2/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46

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
SCHEMBL7324676 1.00 REN (0.48) RENCTSSCTSLCTSBCTSK
SCHEMBL7316242 0.94 REN (0.53) REN
SCHEMBL7315458 0.94 REN (0.53) REN
SCHEMBL7317387 0.94 REN (0.53) REN
SCHEMBL7314662 0.90 REN (0.55) REN
SCHEMBL7309924 0.90 REN (0.55) REN
Acetic Acid SCHEMBL7326759 0.89 REN (0.54) REN
SCHEMBL23598225 0.83 ACE (0.57) RENCTSSCTSLCTSBCTSK
SCHEMBL7300127 0.83 ACE (0.57) RENCTSSCTSLCTSBCTSK
SCHEMBL10522069 0.83 ACE (0.57) RENCTSSCTSLCTSBCTSK

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-0231919-B1 N-HETEROCYCLIC ALCOHOL RENIN INHIBITORS E.R. Squibb & Sons, Inc. (US) 1993-01-20 EP disclosed
EP-0231919-A2 N-Heterocyclic alcohol renin inhibitors E.R. Squibb & Sons, Inc. (US) 1987-08-12 EP disclosed