SCHEMBL10724177

SCHEMBL10724177

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

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 15/20 0.65
▸ CASP3 P42574 1/20 0.51
▸ CTSB P07858 1/20 0.48
▸ CTSK P43235 1/20 0.48
▸ CASP1 P29466 1/20 0.46
▸ CTSD P07339 1/20 0.45

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
SCHEMBL10725122 1.00 REN (0.65) RENCASP3CTSBCTSKCASP1
SCHEMBL10724190 1.00 REN (0.65) RENCASP3CTSBCTSKCASP1
SCHEMBL10721184 1.00 REN (0.65) RENCASP3CTSBCTSKCASP1
SCHEMBL10724290 1.00 REN (0.65) RENCASP3CTSBCTSKCASP1
SCHEMBL10725050 1.00 REN (0.65) RENCASP3CTSBCTSKCASP1
SCHEMBL10721172 1.00 REN (0.65) RENCASP3CTSBCTSKCASP1
SCHEMBL10724583 1.00 REN (0.65) RENCASP3CTSBCTSKCASP1
SCHEMBL10724591 1.00 REN (0.65) RENCASP3CTSBCTSKCASP1
SCHEMBL10725022 1.00 REN (0.65) RENCASP3CTSBCTSKCASP1
SCHEMBL10721109 0.95 REN (0.64) 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-4698329-A HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 1987-10-06 — — US disclosed
EP-0152255-A2 New renin-inhibitory peptides and their use SANKYO COMPANY LIMITED (JP) 1985-08-21 — — EP disclosed
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