SCHEMBL7270160

SCHEMBL7270160

COP(=O)(N[C@@H](C)C(=O)N(c1ccccc1)[C@@H](CC(C)C)C(=O)N[C@H](CC1CCCCC1)[C@H](O)c1nccs1)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.40
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
CCR1 P32246 2/20 0.35

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
SCHEMBL7270164 0.84 REN (0.52) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7269096 0.72 REN (0.38) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7424256 0.71 REN (0.41) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL9740699 0.71 REN (0.41) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL9740697 0.71 REN (0.41) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7298899 0.70 REN (0.37) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7268135 0.68 REN (0.49) REN
SCHEMBL9740589 0.68 REN (0.54) REN
SCHEMBL7269394 0.68 REN (0.49) REN
SCHEMBL9725802 0.68 REN (0.49) REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0376040-A2 N-phosphinyl di-and tripeptides as renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed