SCHEMBL10981168

SCHEMBL10981168

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 3/20 0.58
▸ CTSK P43235 3/20 0.49
▸ CTSB P07858 2/20 0.49
▸ CASP3 P42574 1/20 0.48
▸ NMBR P28336 2/20 0.47
▸ CTSL P07711 6/20 0.46
▸ MMP9 P14780 1/20 0.45
▸ MMP8 P22894 1/20 0.45
▸ PSMB1 P20618 1/20 0.44
▸ PSMB5 P28074 1/20 0.44
▸ PSMB2 P49721 1/20 0.44
▸ IL1RN P18510 1/20 0.44
▸ ERAP2 Q6P179 1/20 0.44
▸ ERAP1 Q9NZ08 1/20 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
SCHEMBL10976366 1.00 REN (0.58) RENCTSKCTSBCASP3NMBR
SCHEMBL10633366 1.00 REN (0.58) RENCTSKCTSBCASP3NMBR
SCHEMBL10636529 1.00 REN (0.58) RENCTSKCTSBCASP3NMBR
SCHEMBL10636517 0.97 REN (0.56) RENCTSKCTSBCASP3NMBR
SCHEMBL10980358 0.92 REN (0.54) RENCTSKCTSBCASP3NMBR
SCHEMBL10980392 0.92 REN (0.54) RENCTSKCTSBCASP3NMBR
SCHEMBL11016020 0.91 REN (0.61) RENCTSKCTSB
SCHEMBL11016025 0.91 REN (0.61) RENCTSKCTSB
SCHEMBL11013353 0.91 REN (0.56) RENCTSKCTSBCASP3NMBR
SCHEMBL10979511 0.90 REN (0.68) RENCTSKCTSBCASP3NMBR

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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