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SCHEMBL10724673

SCHEMBL10724673

CCC(C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)N[C@H](CO)[C@@H](C)CC

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.56
▸ CTSB P07858 1/20 0.56
▸ REN P00797 10/20 0.55
▸ CTSD P07339 1/20 0.48
▸ CASP3 P42574 1/20 0.47
▸ PSMB1 P20618 1/20 0.46
▸ CAPN1 P07384 2/20 0.46

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
SCHEMBL10724666 1.00 CTSK (0.56) CTSKCTSBRENCTSDCASP3
SCHEMBL10720888 0.94 REN (0.61) CTSKCTSBRENCTSDPSMB1
SCHEMBL10720900 0.94 REN (0.61) CTSKCTSBRENCTSDPSMB1
SCHEMBL10725341 0.92 REN (0.62) CTSKCTSBRENCTSDCASP3
SCHEMBL10725334 0.92 REN (0.62) CTSKCTSBRENCTSDCASP3
SCHEMBL10724650 0.92 REN (0.51) CTSKCTSBRENCASP3
SCHEMBL10724655 0.92 REN (0.51) CTSKCTSBRENCASP3
SCHEMBL10724146 0.91 REN (0.52) CTSKCTSBRENCASP3
SCHEMBL10724153 0.91 REN (0.52) CTSKCTSBRENCASP3
SCHEMBL10721218 0.91 REN (0.62) CTSKCTSBRENCTSD

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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