SCHEMBL10727419

SCHEMBL10727419

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OC(C)(C)C)C(O)CNC(=O)[C@@H](N)CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 10/20 0.44
▸ BACE1 P56817 9/20 0.44
▸ CTSD P07339 1/20 0.42
▸ BACE2 Q9Y5Z0 1/20 0.42

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
SCHEMBL10731177 0.93 REN (0.55) REN
SCHEMBL10868633 0.93 REN (0.55) REN
SCHEMBL10727422 0.86 REN (0.48) RENBACE1
SCHEMBL10825159 0.82 REN (0.49) RENBACE1
SCHEMBL10825155 0.82 REN (0.49) RENBACE1
SCHEMBL10825178 0.82 REN (0.49) RENBACE1
SCHEMBL10766573 0.81 REN (0.56) REN
SCHEMBL10525394 0.80 REN (0.57) REN
SCHEMBL10869206 0.80 REN (0.59) REN
SCHEMBL10725717 0.80 REN (0.59) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4616088-A Amino acid ester and amide renin inhibitor E. R. SQUIBB & SONS, INC. (US) 1986-10-07 — — US claimed
EP-0181071-A2 Amino acid ester and amide renin inhibitors E.R. Squibb & Sons, Inc. (US) 1986-05-14 — — EP claimed
US-4665193-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1987-05-12 — — US disclosed
US-4616088-A Amino acid ester and amide renin inhibitor E. R. SQUIBB & SONS, INC. (US) 1986-10-07 — — US disclosed
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