SCHEMBL10980358

SCHEMBL10980358

CC(C)CC(CC=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 3/20 0.54
▸ CASP3 P42574 1/20 0.48
▸ CTSB P07858 3/20 0.47
▸ CTSK P43235 2/20 0.47
▸ PSMB1 P20618 1/20 0.46
▸ PSMB5 P28074 1/20 0.46
▸ PSMB2 P49721 1/20 0.46
▸ NMBR P28336 1/20 0.46
▸ MMP9 P14780 1/20 0.45
▸ MMP8 P22894 1/20 0.45
▸ CTSL P07711 7/20 0.44

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
SCHEMBL10980392 1.00 REN (0.54) RENCASP3CTSBCTSKPSMB1
SCHEMBL10636529 0.92 REN (0.58) RENCASP3CTSBCTSKPSMB1
SCHEMBL10633366 0.92 REN (0.58) RENCASP3CTSBCTSKPSMB1
SCHEMBL10981168 0.92 REN (0.58) RENCASP3CTSBCTSKPSMB1
SCHEMBL10976366 0.92 REN (0.58) RENCASP3CTSBCTSKPSMB1
SCHEMBL10978085 0.91 REN (0.63) RENCASP3CTSBCTSKNMBR
SCHEMBL10981144 0.90 PSMB1 (0.52) RENCTSBCTSKPSMB1PSMB5
SCHEMBL10981150 0.90 PSMB1 (0.52) RENCTSBCTSKPSMB1PSMB5
SCHEMBL10633448 0.90 REN (0.56) RENCASP3CTSBCTSKPSMB1
SCHEMBL10636517 0.89 REN (0.56) RENCASP3CTSBCTSKPSMB1

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
US-4548926-A RENIN INHIBITOR SANKYO COMPANY LIMITED (JP) 1985-10-22 — — US disclosed
EP-0128762-A2 New hypotensive peptides, their preparation and their use SANKYO COMPANY LIMITED (JP) 1984-12-19 — — EP disclosed
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