SCHEMBL9879690

SCHEMBL9879690

COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)[C@H](CC(C)C)C[C@H](OC1CCCCO1)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.48
KLK7 P49862 2/20 0.48
KLK5 Q9Y337 2/20 0.48
HTRA1 Q92743 1/20 0.46
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
MAPT P10636 1/20 0.43

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
SCHEMBL9876274 0.92 REN (0.49) RENKLK7KLK5HTRA1ITGB3
SCHEMBL7365902 0.92 REN (0.49) RENKLK7KLK5HTRA1ITGB3
SCHEMBL9876300 0.89 REN (0.50) REN
SCHEMBL9876474 0.88 REN (0.59) RENHTRA1ITGB3ITGA2B
SCHEMBL9876624 0.87 REN (0.49) REN
SCHEMBL7357503 0.85 REN (0.52) REN
SCHEMBL10458260 0.85 REN (0.50) REN
SCHEMBL9876626 0.81 REN (0.56) REN
Hydrochloric Acid SCHEMBL10631288 0.81 REN (0.61) RENHTRA1
SCHEMBL9876326 0.79 CA1 (0.50) RENHTRA1

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-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
US-4729985-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1988-03-08 US disclosed