SCHEMBL7394147

SCHEMBL7394147

CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CC(=O)N(CC(=O)N(C)C)Cc1ccccc1)Cc1csc(N)n1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.70
CTSD P07339 1/20 0.70

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
SCHEMBL7389122 0.94 REN (0.72) RENCTSD
SCHEMBL7391368 0.92 REN (0.79) RENCTSD
SCHEMBL7386382 0.91 REN (0.69) RENCTSD
SCHEMBL7392928 0.91 REN (0.77) RENCTSD
SCHEMBL7397145 0.91 REN (0.77) RENCTSD
SCHEMBL7396287 0.91 REN (0.77) RENCTSD
SCHEMBL7280171 0.90 REN (0.64) RENCTSD
SCHEMBL7392286 0.90 REN (0.88) RENCTSD
SCHEMBL7391114 0.88 REN (0.65) RENCTSD
SCHEMBL7286450 0.87 REN (0.66) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0589445-B1 Renin Inhibiting N-(2-Amino-2-oxoethyl)Butanediamide Derivatives BIO MEGA BOEHRINGER INGELHEIM (CA) 1997-01-15 EP claimed
WO-1994007846-A1 RENIN INHIBITING N-(2-AMINO-2-OXOETHYL)BUTANEDIAMIDE DERIVATIVES BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-04-14 WO claimed
EP-0589445-A1 Renin Inhibiting N-(2-Amino-2-oxoethyl)Butanediamide Derivatives BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-03-30 EP claimed