SCHEMBL11028015

SCHEMBL11028015

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

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KLK5 Q9Y337 2/20 0.84
▸ REN P00797 12/20 0.67
▸ PSEN1 P49768 5/20 0.63
▸ PSEN2 P49810 5/20 0.63
▸ APH1B Q8WW43 5/20 0.63
▸ NCSTN Q92542 5/20 0.63
▸ APH1A Q96BI3 5/20 0.63
▸ PSENEN Q9NZ42 5/20 0.63
▸ APP P05067 1/20 0.60

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
SCHEMBL11025093 0.88 REN (0.76) KLK5REN
SCHEMBL11026683 0.88 REN (0.72) KLK5REN
SCHEMBL18171935 0.87 REN (0.68) KLK5RENPSEN1PSEN2APH1B
SCHEMBL7319373 0.87 REN (0.68) KLK5RENPSEN1PSEN2APH1B
SCHEMBL28376535 0.87 REN (0.68) KLK5RENPSEN1PSEN2APH1B
SCHEMBL8073093 0.87 REN (0.68) KLK5RENPSEN1PSEN2APH1B
SCHEMBL30789039 0.87 REN (0.68) KLK5RENPSEN1PSEN2APH1B
SCHEMBL23106755 0.83 REN (0.68) KLK5RENPSEN1PSEN2APH1B
SCHEMBL22962098 0.83 REN (0.68) KLK5RENPSEN1PSEN2APH1B
SCHEMBL18229265 0.83 REN (0.68) KLK5RENPSEN1PSEN2APH1B

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-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
Send feedback