SCHEMBL7309951

SCHEMBL7309951

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.35
CTSB P07858 2/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
CTSL P07711 1/20 0.33

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
SCHEMBL7320023 0.91 CTSS (0.32) RENCTSBCTSSCTSKCTSL
SCHEMBL7319388 0.90 REN (0.39) RENCTSBCTSSCTSKCTSL
SCHEMBL7406580 0.89 REN (0.42) RENCTSBCTSSCTSL
SCHEMBL7309957 0.86 CTSB (0.34) RENCTSBCTSSCTSKCTSL
SCHEMBL7323447 0.82 REN (0.39) REN
SCHEMBL7320027 0.82 CTSS (0.34) RENCTSBCTSSCTSKCTSL
SCHEMBL7320947 0.81
SCHEMBL7323390 0.80 REN (0.32) REN
SCHEMBL7326352 0.80 REN (0.31) RENCTSBCTSSCTSK
SCHEMBL7316972 0.80 REN (0.30) 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