SCHEMBL7269492

SCHEMBL7269492

CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)c1ccco1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.57
PSEN1 P49768 1/20 0.55
PSEN2 P49810 1/20 0.55
APH1B Q8WW43 1/20 0.55
NCSTN Q92542 1/20 0.55
APH1A Q96BI3 1/20 0.55
PSENEN Q9NZ42 1/20 0.55
CTSD P07339 1/20 0.48
PGA5 P0DJD9 1/20 0.48
CTSE P14091 1/20 0.48
PGC P20142 1/20 0.48
BACE1 P56817 1/20 0.48

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
SCHEMBL7269499 1.00 REN (0.57) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL9555781 0.87 REN (0.52) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL9725895 0.86 REN (0.61) REN
SCHEMBL9725900 0.86 REN (0.61) REN
SCHEMBL7268380 0.86 PSEN1 (0.46) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7268385 0.86 PSEN1 (0.46) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7321258 0.86 PSEN1 (0.46) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7300500 0.85 REN (0.61) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7300506 0.85 REN (0.61) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL9740289 0.82 REN (0.57) 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