SCHEMBL7363470

SCHEMBL7363470

CNC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.66
APP P05067 1/20 0.52
PSEN1 P49768 1/20 0.52
PSEN2 P49810 1/20 0.52
APH1B Q8WW43 1/20 0.52
NCSTN Q92542 1/20 0.52
APH1A Q96BI3 1/20 0.52
PSENEN Q9NZ42 1/20 0.52

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
SCHEMBL10672536 1.00 REN (0.66) RENAPPPSEN1PSEN2APH1B
SCHEMBL9876381 0.91 REN (0.56) REN
SCHEMBL27692373 0.91 REN (0.56) REN
SCHEMBL9876205 0.90 REN (0.55) REN
SCHEMBL27692371 0.90 REN (0.55) REN
SCHEMBL9876268 0.90 REN (0.55) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL9876526 0.90 REN (0.55) REN
SCHEMBL27673654 0.90 REN (0.55) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL9876576 0.88 REN (0.54) REN
SCHEMBL27673669 0.88 REN (0.54) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992562-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1991-02-12 US disclosed
US-4948913-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1990-08-14 US disclosed
WO-1988003022-A1 RELATIVELY LOW MOLECULAR WEIGHT POLYPEPTIDES AS RENIN INHIBITORS PFIZER INC. (US) 1988-05-05 WO disclosed
US-4729985-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1988-03-08 US disclosed
EP-0212903-A2 Polypeptide derivatives containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1987-03-04 EP disclosed