SCHEMBL9417413

SCHEMBL9417413

NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)N1CCOCC1)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 16/20 0.51
▸ CTSL P07711 1/20 0.47
▸ CTSS P25774 1/20 0.41
▸ MMP8 P22894 1/20 0.41

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
SCHEMBL7290351 1.00 REN (0.51) RENCTSLCTSSMMP8
SCHEMBL7272851 0.89 REN (0.51) REN
SCHEMBL7276181 0.89 REN (0.51) REN
SCHEMBL7281480 0.88 MMP1 (0.43) RENCTSLCTSSMMP8
SCHEMBL7283818 0.87 REN (0.45) REN
SCHEMBL7283810 0.87 REN (0.45) REN
SCHEMBL9417266 0.86 CTSS (0.53) CTSLCTSS
SCHEMBL7441871 0.86 CTSS (0.53) CTSLCTSS
SCHEMBL9417383 0.85 REN (0.39) RENCTSLCTSSMMP8
SCHEMBL9417433 0.85 MMP8 (0.45) RENCTSLCTSSMMP8

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0229667-B1 Peptidylaminodiols ABBOTT LAB (US) 1994-07-13 — — EP disclosed
US-5091575-A Renin inhibitor ABBOTT LABORATORIES (US) 1992-02-25 — — US disclosed
US-5032577-A Hypotensive ABBOTT LABORATORIES (US) 1991-07-16 — — US disclosed
US-4977277-A INTERMEDIATES FOR RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-12-11 — — US disclosed
US-4845079-A HYPOTENSIVE, RENIN INHIBITION ABBOTT LABORATORIES 1989-07-04 — — US disclosed
US-4837204-A RENIN INHIBITORS; HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1989-06-06 — — US disclosed
EP-0230266-A2 Functionalized peptidyl aminodiols and -triols ABBOTT LABORATORIES (US) 1987-07-29 — — EP disclosed
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