SCHEMBL10978085

SCHEMBL10978085

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

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 12/20 0.63
▸ CASP3 P42574 1/20 0.47
▸ CTSB P07858 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ CTSD P07339 1/20 0.43
▸ NMBR P28336 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP8 P22894 1/20 0.42

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
SCHEMBL10979511 0.92 REN (0.68) RENCASP3CTSBCTSKCTSD
SCHEMBL10724190 0.91 REN (0.65) RENCASP3CTSBCTSKCTSD
SCHEMBL10724591 0.91 REN (0.65) RENCASP3CTSBCTSKCTSD
SCHEMBL10724583 0.91 REN (0.65) RENCASP3CTSBCTSKCTSD
SCHEMBL10725022 0.91 REN (0.65) RENCASP3CTSBCTSKCTSD
SCHEMBL10724290 0.91 REN (0.65) RENCASP3CTSBCTSKCTSD
SCHEMBL10724177 0.91 REN (0.65) RENCASP3CTSBCTSKCTSD
SCHEMBL10721172 0.91 REN (0.65) RENCASP3CTSBCTSKCTSD
SCHEMBL10725050 0.91 REN (0.65) RENCASP3CTSBCTSKCTSD
SCHEMBL10721184 0.91 REN (0.65) RENCASP3CTSBCTSKCTSD

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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