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SCHEMBL7309673

SCHEMBL7309673

CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(CCc1ccccc1)Cc1ccccc1)C(=O)NC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 19/20 0.51
▸ BACE1 P56817 1/20 0.44

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
SCHEMBL7320205 0.96 REN (0.50) REN
SCHEMBL7320617 0.95 REN (0.49) REN
SCHEMBL7311362 0.95 REN (0.55) RENBACE1
SCHEMBL7316500 0.93 REN (0.53) RENBACE1
SCHEMBL7313266 0.91 REN (0.54) RENBACE1
SCHEMBL7310332 0.91 REN (0.50) RENBACE1
SCHEMBL10602514 0.90 REN (0.53) REN
SCHEMBL7316898 0.89 REN (0.52) RENBACE1
SCHEMBL8896012 0.87 REN (0.62) REN
SCHEMBL7318320 0.86 REN (0.49) RENBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0114993-B1 RENIN INHIBITORY TRIPEPTIDES MERCK & CO. INC. (US) 1990-05-16 — — EP claimed
US-4668770-A HYPOTENSIVE, HYPOALDOSTERONISM MERCK & CO., INC. (US) 1987-05-26 — — US claimed
EP-0114993-A2 Renin inhibitory tripeptides MERCK & CO. INC. (US) 1984-08-08 — — EP claimed
EP-0114993-B1 RENIN INHIBITORY TRIPEPTIDES MERCK & CO. INC. (US) 1990-05-16 — — EP disclosed
US-4668770-A HYPOTENSIVE, HYPOALDOSTERONISM MERCK & CO., INC. (US) 1987-05-26 — — US disclosed
EP-0114993-A2 Renin inhibitory tripeptides MERCK & CO. INC. (US) 1984-08-08 — — EP disclosed
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