SCHEMBL7268413

SCHEMBL7268413

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.38
▸ CTSS P25774 2/20 0.38
▸ AAK1 Q2M2I8 2/20 0.35
▸ REN P00797 13/20 0.35
▸ CTSD P07339 1/20 0.34
▸ CTSE P14091 1/20 0.34
▸ PGC P20142 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CACNA1B Q00975 1/20 0.32

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
SCHEMBL7268382 0.92 REN (0.46) RENPGC
SCHEMBL9740788 0.84 POLB (0.34) CTSK
SCHEMBL7268400 0.81 CTSK (0.34) CTSKCTSSAAK1RENCTSD
SCHEMBL10421180 0.81 CTSS (0.42) CTSKCTSSAAK1RENCTSD
SCHEMBL7268374 0.78 REN (0.41) RENPGC
SCHEMBL10711387 0.75 CTSS (0.37) CTSKCTSSAAK1RENPGC
SCHEMBL7268409 0.75 POLB (0.30) —
SCHEMBL10421240 0.75 REN (0.46) RENCTSDCTSEPGC
SCHEMBL7370857 0.73 REN (0.54) RENPGC
SCHEMBL7333295 0.72 REN (0.46) RENCTSDCTSEPGC

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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