SCHEMBL7309957

SCHEMBL7309957

N[C@@H](Cc1ccccc1)C(=O)NC(=O)[C@H](Cc1c[nH]cn1)N(COCc1ccccc1)[C@@H](CC1CCCCC1)C(O)c1nccn1COCc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.34
CTSS P25774 3/20 0.34
CTSK P43235 1/20 0.34
REN P00797 15/20 0.32
CTSL P07711 2/20 0.32

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
SCHEMBL7320027 0.90 CTSS (0.34) CTSBCTSSCTSKRENCTSL
SCHEMBL7319383 0.90 REN (0.35) CTSBCTSSCTSKREN
SCHEMBL7309951 0.86 REN (0.35) CTSBCTSSCTSKRENCTSL
SCHEMBL7320023 0.84 CTSS (0.32) CTSBCTSSCTSKRENCTSL
SCHEMBL7320947 0.80
SCHEMBL7323447 0.80 REN (0.39) REN
SCHEMBL7323390 0.79 REN (0.32) REN
SCHEMBL7326352 0.79 REN (0.31) CTSBCTSSCTSKREN
SCHEMBL7316972 0.79 REN (0.30) REN
SCHEMBL7319388 0.77 REN (0.39) CTSBCTSSCTSKRENCTSL

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