SCHEMBL7296002

SCHEMBL7296002

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(C)C)[C@H](O)c1cccs1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.65
PSEN1 P49768 2/20 0.53
PSEN2 P49810 2/20 0.53
APH1B Q8WW43 2/20 0.53
NCSTN Q92542 2/20 0.53
APH1A Q96BI3 2/20 0.53
PSENEN Q9NZ42 2/20 0.53

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
SCHEMBL7296007 1.00 REN (0.65) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL9725876 0.89 REN (0.61) REN
SCHEMBL9725871 0.89 REN (0.61) REN
SCHEMBL7268440 0.83 REN (0.49) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7268445 0.83 REN (0.49) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7268437 0.83 REN (0.49) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7269995 0.83 REN (0.63) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL9551232 0.81 REN (0.73) REN
SCHEMBL9101385 0.81 REN (0.73) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL6897460 0.81 REN (0.73) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5106835-A Hypotensive agents AMERICAN CYANAMID COMPANY (US) 1992-04-21 US disclosed
EP-0376012-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed