SCHEMBL7269096

SCHEMBL7269096

CCOP(=O)(N[C@@H](C)C(=O)N(c1ccc(OC)cc1)[C@@H](CC(C)C)C(=O)N[C@H](CC1CCCCC1)[C@H](O)c1ccco1)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.38
POLB P06746 1/20 0.37
UBE2N P61088 1/20 0.36
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
CTSL P07711 2/20 0.34
CTSS P25774 2/20 0.34
CTSK P43235 1/20 0.34
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
ADAM17 P78536 2/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34

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
SCHEMBL7298899 0.95 REN (0.37) RENPOLBUBE2NALDH1A1PSEN1
SCHEMBL7306146 0.87 REN (0.35) RENPOLBUBE2NALDH1A1CTSL
SCHEMBL7269098 0.82 PSEN1 (0.41) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL9555781 0.75 REN (0.52) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7268385 0.74 PSEN1 (0.46) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7321258 0.74 PSEN1 (0.46) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7268380 0.74 PSEN1 (0.46) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7277253 0.72 REN (0.46) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7270160 0.72 REN (0.40) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7269492 0.67 REN (0.57) 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