SCHEMBL8894053

SCHEMBL8894053

CC(C)C[C@H](NC(=O)COc1ccccc1)C(=O)N(C(=O)C[C@H](O)[C@@H](N)Cc1ccccc1)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 2/20 0.47
▸ GPR34 Q9UPC5 5/20 0.45
▸ ACE P12821 1/20 0.45
▸ MMP2 P08253 1/20 0.43
▸ MMP7 P09237 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP12 P39900 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ PSMB5 P28074 1/20 0.43
▸ CTSD P07339 1/20 0.42

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
SCHEMBL11023324 0.94 MEN1 (0.48) RENPSMB5CTSD
SCHEMBL8894644 0.85 MMP2 (0.48) ACEMMP2MMP7MMP9MMP12
SCHEMBL11026589 0.79 KLK5 (0.53) RENCTSD
SCHEMBL8893254 0.76 REN (0.67) RENACECTSD
SCHEMBL7970010 0.72 GPR34 (0.73) GPR34PSMB5
SCHEMBL10727176 0.72 GPR34 (0.73) GPR34PSMB5
SCHEMBL7296506 0.72 GPR34 (0.73) GPR34PSMB5
SCHEMBL8893459 0.72 REN (0.61) RENCTSD
SCHEMBL10749186 0.72 REN (0.61) RENCTSD
SCHEMBL5099551 0.71 ALDH1A1 (0.74) GPR34

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 11 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-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-0243477-A1 RENIN INHIBITORS AND METHODS FOR USING SAME SCHERING CORPORATION (US) 1987-11-04 — — EP disclosed
WO-1987002581-A1 RENIN INHIBITORS AND METHODS FOR USING SAME SCHERING CORPORATION (US) 1987-05-07 — — WO 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
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