SCHEMBL11033295

SCHEMBL11033295

CC(C)C[C@@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 16/20 0.56
▸ CTSS P25774 2/20 0.49
▸ CTSL P07711 1/20 0.49
▸ CTSB P07858 1/20 0.49
▸ CTSK P43235 1/20 0.49
▸ AKT1 P31749 1/20 0.49

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
SCHEMBL11124942 0.92 REN (0.43) RENCTSSCTSLCTSBCTSK
SCHEMBL10636524 0.89 CTSK (0.54) RENCTSSCTSLCTSBCTSK
SCHEMBL10522069 0.87 ACE (0.57) RENCTSSCTSLCTSBCTSK
SCHEMBL7300127 0.87 ACE (0.57) RENCTSSCTSLCTSBCTSK
SCHEMBL23598225 0.87 ACE (0.57) RENCTSSCTSLCTSBCTSK
SCHEMBL9551311 0.85 REN (0.64) RENCTSSCTSLCTSBCTSK
SCHEMBL9551282 0.85 CTSS (0.54) RENCTSSCTSLCTSBCTSK
SCHEMBL10420805 0.85 CTSS (0.54) RENCTSSCTSLCTSBCTSK
SCHEMBL9876266 0.85 CTSS (0.54) RENCTSSCTSLCTSBCTSK
SCHEMBL27335662 0.85 CTSS (0.54) RENCTSSCTSLCTSBCTSK

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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