SCHEMBL7282372

SCHEMBL7282372

CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)N(CC1(O)CCCCC1)C(=O)[C@@H](CC(=O)NCc1ccc2c(c1)OCO2)Cc1cscn1

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.43

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
SCHEMBL7288603 0.89 KMT2A (0.41) —
SCHEMBL7288053 0.85 REN (0.48) REN
SCHEMBL7281087 0.85 REN (0.47) REN
SCHEMBL7279027 0.84 REN (0.44) REN
SCHEMBL7278564 0.84 REN (0.44) REN
SCHEMBL7288675 0.79 REN (0.55) REN
SCHEMBL7281639 0.77 REN (0.45) REN
SCHEMBL7281155 0.77 REN (0.45) REN
SCHEMBL7279482 0.77 REN (0.47) REN
SCHEMBL7278750 0.77 CYP2C19 (0.36) 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
EP-0589446-B1 N-(Hydroxyethyl)butanediamide derivatives as renin inhibitors BOEHRINGER INGELHEIM CA LTD (CA) 1997-09-03 — — EP claimed
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