SCHEMBL7386865

SCHEMBL7386865

CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CC(=O)N(CCCc1ccccc1)CC(=O)N(C)C)CC1CC1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.55
CTSD P07339 1/20 0.52

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
SCHEMBL7392056 0.96 REN (0.56) RENCTSD
SCHEMBL7389537 0.91 REN (0.53) RENCTSD
SCHEMBL7393922 0.87 REN (0.50) RENCTSD
SCHEMBL7392712 0.87 REN (0.50) RENCTSD
SCHEMBL7391941 0.87 REN (0.66) RENCTSD
SCHEMBL7390038 0.86 REN (0.60) RENCTSD
SCHEMBL7389107 0.85 REN (0.49) RENCTSD
SCHEMBL7390035 0.84 REN (0.54) REN
SCHEMBL7389793 0.84 REN (0.52) RENCTSD
SCHEMBL7389927 0.84 REN (0.65) 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-0589445-A1 Renin Inhibiting N-(2-Amino-2-oxoethyl)Butanediamide Derivatives BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-03-30 EP claimed