SCHEMBL7288232

SCHEMBL7288232

CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)N(CC(=O)N(C)C)C(=O)[C@@H](CC(=O)NC[C@H](O)c1ccccc1)Cc1cscn1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.48

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
SCHEMBL7390473 0.91 REN (0.52) REN
SCHEMBL7385976 0.87 REN (0.49) REN
SCHEMBL7390237 0.84 REN (0.46) REN
SCHEMBL7392333 0.84 REN (0.46) REN
SCHEMBL7388466 0.83 REN (0.49) REN
SCHEMBL7389539 0.83 REN (0.44) REN
SCHEMBL7391251 0.82 REN (0.43) REN
SCHEMBL7391215 0.82 BCHE (0.40) REN
SCHEMBL7394306 0.82 BCHE (0.40) REN
SCHEMBL7278677 0.82 REN (0.45) 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-0589446-B1 N-(Hydroxyethyl)butanediamide derivatives as renin inhibitors BOEHRINGER INGELHEIM CA LTD (CA) 1997-09-03 — — EP claimed
WO-1994007845-A1 N-(HYDROXYETHYL)BUTANEDIAMIDE DERIVATIVES AS RENIN INHIBITORS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-04-14 — — WO claimed
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