SCHEMBL10979007

SCHEMBL10979007

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)P(=O)(O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.54
▸ ECE1 P42892 2/20 0.54
▸ CAPN1 P07384 2/20 0.52
▸ ACE2 Q9BYF1 1/20 0.52
▸ REN P00797 3/20 0.51
▸ CTSL P07711 2/20 0.50
▸ MMP3 P08254 1/20 0.50
▸ CTSB P07858 1/20 0.50
▸ HTRA1 Q92743 1/20 0.49
▸ CTSK P43235 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
SCHEMBL10977845 1.00 MME (0.54) MMEECE1CAPN1ACE2REN
SCHEMBL10978338 0.90 MME (0.48) MMEECE1CAPN1ACE2REN
SCHEMBL7274809 0.89 CAPN1 (0.60) MMEECE1CAPN1CTSLCTSB
SCHEMBL10636524 0.87 CTSK (0.54) CAPN1RENCTSLCTSBHTRA1
SCHEMBL10636541 0.86 CTSL (0.59) CAPN1CTSLCTSB
SCHEMBL7938093 0.85 CAPN1 (0.60) CAPN1CTSLCTSBCTSK
SCHEMBL9666956 0.85 CTSL (0.54) CAPN1CTSLCTSBCTSK
SCHEMBL9551368 0.85 CTSL (0.54) CAPN1CTSLCTSBCTSK
SCHEMBL27343932 0.85 CTSL (0.54) CAPN1CTSLCTSBCTSK
SCHEMBL9551274 0.85 CTSL (0.54) CAPN1CTSLCTSBCTSK

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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