SCHEMBL7386196

SCHEMBL7386196

CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)N(CC(=O)N(C)C)C(=O)[C@@H](CC(=O)N[C@@H](C)c1ccccc1)Cc1nccs1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 19/20 0.45
▸ CTSD P07339 1/20 0.40
▸ GPR88 Q9GZN0 1/20 0.37

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
SCHEMBL7391251 0.91 REN (0.43) RENCTSDGPR88
SCHEMBL7388396 0.91 REN (0.39) RENCTSDGPR88
SCHEMBL7394199 0.90 REN (0.45) RENCTSD
SCHEMBL7394314 0.89 PSEN1 (0.40) REN
SCHEMBL7389599 0.89 PSEN1 (0.40) REN
SCHEMBL7390473 0.88 REN (0.52) REN
SCHEMBL7389545 0.87 REN (0.51) RENCTSD
SCHEMBL7390152 0.86 REN (0.42) RENCTSD
SCHEMBL7389062 0.86 PSEN1 (0.42) REN
SCHEMBL7385976 0.84 REN (0.49) 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-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
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