SCHEMBL7489092

SCHEMBL7489092

CC(C)[C@@H](CCOc1ccccc1)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.51
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45

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
SCHEMBL7489104 1.00 REN (0.51) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7489109 1.00 REN (0.51) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7565826 0.93 REN (0.49) REN
SCHEMBL7565837 0.93 REN (0.49) REN
SCHEMBL9727926 0.93 REN (0.50) REN
SCHEMBL9727911 0.93 REN (0.50) REN
SCHEMBL7541597 0.92 REN (0.53) REN
SCHEMBL7541592 0.92 REN (0.53) REN
SCHEMBL7564166 0.91 REN (0.48) REN
SCHEMBL7564152 0.91 REN (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5140011-A Hypotensive agents HOFFMANN-LA ROCHE, INC. (US) 1992-08-18 US disclosed
EP-0391179-A2 Peptide derivatives of amino acids having a renin-inhibiting effect F. HOFFMANN-LA ROCHE AG (CH) 1990-10-10 EP disclosed