SCHEMBL8894787

SCHEMBL8894787

CC(C)CC(NC(=O)[C@@H](N)CC(C)C)[C@@H](O)CC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.66
BACE2 Q9Y5Z0 1/20 0.62
CTSD P07339 2/20 0.61
REN P00797 4/20 0.57

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
SCHEMBL8894396 0.90 REN (0.67) BACE1BACE2CTSDREN
SCHEMBL10790323 0.87 BACE1 (0.60) BACE1BACE2CTSD
SCHEMBL29601744 0.85 BACE1 (0.60) BACE1BACE2CTSD
SCHEMBL30886676 0.84 BACE1 (0.88) BACE1BACE2CTSD
SCHEMBL10749186 0.83 REN (0.61) BACE1BACE2CTSDREN
SCHEMBL8893459 0.83 REN (0.61) BACE1BACE2CTSDREN
SCHEMBL28860411 0.82 LTA4H (0.64)
SCHEMBL29519583 0.82 LTA4H (0.64)
SCHEMBL2185269 0.82 LTA4H (0.64)
SCHEMBL1864709 0.82 LTA4H (0.64)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0077029-B1 RENIN INHIBITORY PEPTIDES MERCK & CO. INC. (US) 1985-08-21 EP claimed
US-4384994-A HYPOTENSIVE AND HYPOALDOSTERONE AGENTS MERCK & CO., INC. (US) 1983-05-24 US claimed
EP-0077029-A2 Renin inhibitory peptides MERCK & CO. INC. (US) 1983-04-20 EP claimed
US-5688770-A RENIN INHIBITOR AND BETA ADRENERGIC BLOCKING AGENT SCHERING CORPORATION (US) 1997-11-18 US disclosed
US-5352666-A Using a renin inhibitor SCHERING CORPORATION (US) 1994-10-04 US disclosed
WO-1992013564-A1 COMBINATION OF AN ANGIOTENSIN II ANTAGONIST OR RENIN INHIBITOR WITH A NEUTRAL ENDOPEPTIDASE INHIBITOR SCHERING CORPORATION (US) 1992-08-20 WO disclosed
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
EP-0246381-B1 RENIN INHIBITORS AND METHODS FOR USING SAME SCHERING CORPORATION (US) 1990-08-01 EP disclosed
US-4906613-A Antiglaucoma compositions and methods SCHERING CORPORATION (US) 1990-03-06 US disclosed
EP-0246381-A1 Renin inhibitors and methods for using same SCHERING CORPORATION (US) 1987-11-25 EP disclosed
EP-0077029-B1 RENIN INHIBITORY PEPTIDES MERCK & CO. INC. (US) 1985-08-21 EP disclosed
US-4384994-A HYPOTENSIVE AND HYPOALDOSTERONE AGENTS MERCK & CO., INC. (US) 1983-05-24 US disclosed
EP-0077029-A2 Renin inhibitory peptides MERCK & CO. INC. (US) 1983-04-20 EP disclosed