SCHEMBL10720972

SCHEMBL10720972

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 10/20 0.51
▸ CTSB P07858 1/20 0.45
▸ CTSK P43235 1/20 0.45
▸ CASP3 P42574 4/20 0.44
▸ MME P08473 1/20 0.40
▸ ACE P12821 1/20 0.40
▸ CPA1 P15085 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.40
▸ CASP1 P29466 4/20 0.39
▸ CASP7 P55210 2/20 0.39
▸ CASP4 P49662 1/20 0.39
▸ CASP5 P51878 1/20 0.39
▸ CASP9 P55211 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ CASP8 Q14790 1/20 0.39
▸ CASP10 Q92851 1/20 0.39
▸ NMBR P28336 1/20 0.38

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
SCHEMBL10720980 1.00 REN (0.51) RENCTSBCTSKCASP3MME
SCHEMBL10720794 0.92 REN (0.60) RENCTSBCTSK
SCHEMBL10724362 0.92 REN (0.60) RENCTSBCTSK
SCHEMBL10720805 0.92 REN (0.60) RENCTSBCTSK
SCHEMBL10720131 0.92 REN (0.60) RENCTSBCTSK
SCHEMBL10720136 0.92 REN (0.60) RENCTSBCTSK
SCHEMBL10725026 0.91 REN (0.52) RENCTSBCTSKCASP3MME
SCHEMBL10724620 0.91 REN (0.52) RENCTSBCTSKCASP3MME
SCHEMBL10724684 0.91 REN (0.52) RENCTSBCTSKCASP3MME
SCHEMBL10720077 0.91 REN (0.52) 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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