SCHEMBL10867994

SCHEMBL10867994

CC(C)CC(NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CN[C@@H](CC(C)C)C(=O)NCCc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 19/20 0.52
▸ PGA5 P0DJD9 1/20 0.49

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
SCHEMBL10867999 0.95 REN (0.52) REN
SCHEMBL10825119 0.89 REN (0.58) REN
SCHEMBL10869206 0.87 REN (0.59) REN
SCHEMBL10725721 0.87 REN (0.59) REN
SCHEMBL10725717 0.87 REN (0.59) REN
SCHEMBL10825253 0.86 REN (0.57) REN
SCHEMBL10825102 0.86 REN (0.57) REN
SCHEMBL10825108 0.86 REN (0.57) REN
SCHEMBL8904372 0.85 REN (0.61) REN
SCHEMBL10766573 0.83 REN (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0181071-A2 Amino acid ester and amide renin inhibitors E.R. Squibb & Sons, Inc. (US) 1986-05-14 — — EP claimed
EP-0181071-A2 Amino acid ester and amide renin inhibitors E.R. Squibb & Sons, Inc. (US) 1986-05-14 — — EP disclosed
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