SCHEMBL7320023

SCHEMBL7320023

N[C@@H](Cc1c[nH]cn1)C(=O)N(COCc1ccccc1)[C@@H](CC1CCCCC1)[C@@H](O)c1nccn1COCc1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.32
CTSB P07858 3/20 0.32
CTSK P43235 2/20 0.32
CTSL P07711 2/20 0.32
REN P00797 5/20 0.31
LNPEP Q9UIQ6 1/20 0.31

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
SCHEMBL7309951 0.91 REN (0.35) CTSSCTSBCTSKCTSLREN
SCHEMBL7319388 0.87 REN (0.39) CTSSCTSBCTSKCTSLREN
SCHEMBL7320027 0.86 CTSS (0.34) CTSSCTSBCTSKCTSLREN
SCHEMBL7309957 0.84 CTSB (0.34) CTSSCTSBCTSKCTSLREN
SCHEMBL7320947 0.84
SCHEMBL7323390 0.83 REN (0.32) REN
SCHEMBL7316972 0.83 REN (0.30) REN
SCHEMBL7406580 0.83 REN (0.42) CTSSCTSBCTSLREN
SCHEMBL7326352 0.82 REN (0.31) CTSSCTSBCTSKREN
SCHEMBL7323447 0.81 REN (0.39) 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
EP-0231919-B1 N-HETEROCYCLIC ALCOHOL RENIN INHIBITORS E.R. Squibb & Sons, Inc. (US) 1993-01-20 EP disclosed