SCHEMBL9225823

SCHEMBL9225823

CCCC[C@H](NC(=O)CC(CS(=O)(=O)C(C)(C)C)c1ccccc1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)[C@@H](O)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.51
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42

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
SCHEMBL9223675 1.00 REN (0.51) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL9219107 0.92 REN (0.51) REN
SCHEMBL9219186 0.92 REN (0.51) REN
SCHEMBL9219948 0.89 REN (0.45) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7290061 0.84 REN (0.70) REN
SCHEMBL9225814 0.84 REN (0.70) REN
SCHEMBL9256529 0.81 REN (0.50) REN
SCHEMBL9219096 0.76 REN (0.70) REN
SCHEMBL9219180 0.76 REN (0.70) REN
SCHEMBL7357408 0.76 REN (0.67) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5389616-A Renin inhibitor, hypotensive agent HOFFMAN-LAROCHE INC. (US) 1995-02-14 US disclosed
US-5256645-A Renin inhibitors; hypotensive agents HOFFMANN-LA ROCHE INC. (US) 1993-10-26 US disclosed
US-5134123-A Renin enzyme inhibitors for cardiovascular disorders and high blood pressure HOFFMAN-LA ROCHE INC. (US) 1992-07-28 US disclosed