SCHEMBL10696575

SCHEMBL10696575

CCCC(NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCOCC1)C(O)CC(C(=O)N[C@H](C(=O)NCc1nnn[nH]1)[C@@H](C)CC)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 17/20 0.47
▸ PSMB5 P28074 2/20 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
SCHEMBL10693646 0.86 REN (0.59) REN
SCHEMBL10696795 0.84 REN (0.50) REN
SCHEMBL10521881 0.73 REN (0.51) REN
SCHEMBL10908290 0.71 CTSK (0.52) RENPSMB5
SCHEMBL10522118 0.70 REN (0.41) RENPSMB5
SCHEMBL11013722 0.69 REN (0.58) REN
SCHEMBL11013919 0.69 REN (0.66) REN
SCHEMBL11010625 0.69 REN (0.66) REN
SCHEMBL10521833 0.69 REN (0.58) REN
SCHEMBL9755316 0.68 REN (0.48) REN

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-0262318-A2 Renin-inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1988-04-06 — — EP disclosed
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