SCHEMBL10722951

SCHEMBL10722951

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

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 19/20 0.53
▸ PGA5 P0DJD9 1/20 0.50
▸ CTSD P07339 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
SCHEMBL29612424 0.91 REN (0.59) RENPGA5CTSD
SCHEMBL10867755 0.85 REN (0.51) RENPGA5CTSD
SCHEMBL23598225 0.85 ACE (0.57) REN
SCHEMBL7300127 0.85 ACE (0.57) REN
SCHEMBL10522069 0.85 ACE (0.57) REN
SCHEMBL10420805 0.83 CTSS (0.54) REN
SCHEMBL9551282 0.83 CTSS (0.54) REN
SCHEMBL9876266 0.83 CTSS (0.54) REN
SCHEMBL9551311 0.83 REN (0.64) REN
SCHEMBL27335662 0.83 CTSS (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4709010-A TREATING OR PREVENTING HYPERTENSION OR HYPERALDESTERONISM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1987-11-24 — — US disclosed
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