SCHEMBL10723018

SCHEMBL10723018

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 6/20 0.52
▸ CTSB P07858 1/20 0.48
▸ CTSK P43235 1/20 0.48
▸ CASP3 P42574 6/20 0.47
▸ MME P08473 1/20 0.44
▸ ACE P12821 1/20 0.44
▸ CPA1 P15085 1/20 0.44
▸ ACE2 Q9BYF1 1/20 0.44
▸ CASP1 P29466 3/20 0.43
▸ NMBR P28336 1/20 0.41
▸ CASP7 P55210 3/20 0.41
▸ CASP4 P49662 1/20 0.41
▸ CASP5 P51878 1/20 0.41
▸ CASP9 P55211 1/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ CASP8 Q14790 1/20 0.41
▸ CASP10 Q92851 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL10720081 1.00 REN (0.52) RENCTSBCTSKCASP3MME
SCHEMBL10725026 1.00 REN (0.52) RENCTSBCTSKCASP3MME
SCHEMBL10723010 1.00 REN (0.52) RENCTSBCTSKCASP3MME
SCHEMBL10720077 1.00 REN (0.52) RENCTSBCTSKCASP3MME
SCHEMBL10725441 0.97 REN (0.51) RENCTSBCTSKCASP3MME
SCHEMBL10721345 0.97 REN (0.51) RENCTSBCTSKCASP3MME
SCHEMBL10721336 0.97 REN (0.51) RENCTSBCTSKCASP3MME
SCHEMBL10725001 0.97 REN (0.51) RENCTSBCTSKCASP3MME
SCHEMBL10725261 0.97 REN (0.51) RENCTSBCTSKCASP3MME
SCHEMBL10725447 0.97 REN (0.51) RENCTSBCTSKCASP3MME

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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