SCHEMBL7277253

SCHEMBL7277253

CCOP(=O)(N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC1CCCCC1)[C@H](O)c1ccco1)OCC

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.46
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43

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
SCHEMBL9555781 0.89 REN (0.52) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL9740414 0.80 REN (0.56) REN
SCHEMBL7269499 0.77 REN (0.57) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7269492 0.77 REN (0.57) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7269098 0.76 PSEN1 (0.41) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7277254 0.76 REN (0.46) REN
SCHEMBL7277581 0.75 REN (0.49) REN
SCHEMBL7277586 0.75 REN (0.49) REN
SCHEMBL7268380 0.74 PSEN1 (0.46) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7268385 0.74 PSEN1 (0.46) RENPSEN1PSEN2APH1BNCSTN

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
US-5189023-A Hypotensive agent AMERICAN CYANAMID COMPANY (US) 1993-02-23 US disclosed
EP-0473936-A1 Renin Inhibitors AMERICAN CYANAMID COMPANY (US) 1992-03-11 EP disclosed
EP-0376040-A2 N-phosphinyl di-and tripeptides as renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed