SCHEMBL9716847

SCHEMBL9716847

CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 17/20 0.66
▸ CTSD P07339 1/20 0.51
▸ CTSB P07858 1/20 0.49
▸ CTSK P43235 1/20 0.49

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
SCHEMBL9716892 0.91 REN (0.65) REN
SCHEMBL11013919 0.91 REN (0.66) RENCTSBCTSK
SCHEMBL11010625 0.91 REN (0.66) RENCTSBCTSK
SCHEMBL10724797 0.89 REN (0.61) REN
SCHEMBL10724802 0.89 REN (0.61) REN
SCHEMBL10723566 0.87 REN (0.58) REN
SCHEMBL10723572 0.87 REN (0.58) REN
SCHEMBL10720636 0.86 REN (0.59) REN
SCHEMBL10720645 0.86 REN (0.59) REN
SCHEMBL10723611 0.86 REN (0.58) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0077028-B1 RENIN INHIBITORY PEPTIDES MERCK & CO. INC. (US) 1987-01-14 — — EP claimed
EP-0077028-A2 Renin inhibitory peptides MERCK & CO. INC. (US) 1983-04-20 — — EP claimed
EP-0498361-A2 Combination of an angiotensin II antagonist or renin inhibitor with a neutral endopeptidase inhibitor SCHERING CORPORATION (US) 1992-08-12 — — EP disclosed
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