SCHEMBL7277775

SCHEMBL7277775

CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CC(=O)NC[C@@H](O)c1ccccn1)CC1CC1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.54
CTSD P07339 1/20 0.46

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
SCHEMBL7286093 0.88 REN (0.53) REN
SCHEMBL7277262 0.80 REN (0.52) REN
SCHEMBL7389273 0.78 REN (0.61) RENCTSD
SCHEMBL7286685 0.77 REN (0.53) REN
SCHEMBL7280154 0.76 REN (0.62) REN
SCHEMBL7280042 0.76 REN (0.62) REN
SCHEMBL7285769 0.76 REN (0.52) REN
SCHEMBL7280141 0.76 REN (0.60) REN
SCHEMBL7391941 0.75 REN (0.66) RENCTSD
SCHEMBL7277830 0.75 REN (0.55) RENCTSD

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-A1 N-(Hydroxyethyl)butanediamide derivatives as renin inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-03-30 EP claimed