SCHEMBL7268382

SCHEMBL7268382

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[C@@](O)(c1nccs1)[C@@H](N)CC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 17/20 0.46
▸ PGC P20142 1/20 0.44
▸ PSMB1 P20618 2/20 0.41
▸ PSMB8 P28062 2/20 0.41
▸ PSMB9 P28065 2/20 0.41
▸ PSMB5 P28074 2/20 0.41
▸ PSMB10 P40306 1/20 0.41
▸ PSMB2 P49721 1/20 0.41
▸ SCN9A Q15858 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
SCHEMBL7268413 0.92 CTSK (0.38) RENPGC
SCHEMBL7268374 0.86 REN (0.41) RENPGC
SCHEMBL7370857 0.83 REN (0.54) RENPGC
SCHEMBL7443816 0.80 REN (0.55) RENPGC
SCHEMBL9725846 0.79 REN (0.53) RENPGC
SCHEMBL9725848 0.79 REN (0.53) RENPGC
SCHEMBL7271925 0.79 REN (0.57) RENPGC
SCHEMBL7386767 0.79 REN (0.57) RENPGC
SCHEMBL9526718 0.79 REN (0.56) RENPGC
SCHEMBL9831316 0.79 REN (0.49) RENPGC

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0376040-A2 N-phosphinyl di-and tripeptides as renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 — — EP disclosed
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