SCHEMBL9876722

SCHEMBL9876722

COC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 16/20 0.49
KLK5 Q9Y337 1/20 0.49
CTSD P07339 2/20 0.40
CTSE P14091 2/20 0.40
BACE1 P56817 1/20 0.39
PEPD P12955 1/20 0.39

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
SCHEMBL9876718 1.00 REN (0.49) RENKLK5CTSDCTSEBACE1
SCHEMBL9876267 0.85 KLK5 (0.41) RENKLK5CTSDCTSEBACE1
SCHEMBL9876342 0.81 PEPD (0.49) RENPEPD
SCHEMBL9876344 0.81 PEPD (0.49) RENPEPD
SCHEMBL7358701 0.81 REN (0.60) REN
SCHEMBL7281729 0.81 REN (0.56) RENCTSDCTSE
SCHEMBL21536111 0.80 CTSK (0.53) KLK5PEPD
SCHEMBL28286258 0.80 CTSK (0.53) KLK5PEPD
SCHEMBL10669316 0.79 REN (0.61) RENCTSDCTSE
SCHEMBL10675193 0.79 REN (0.61) RENCTSDCTSE

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