SCHEMBL7395959

SCHEMBL7395959

CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)N(Cc1ccco1)C(=O)[C@@H](CC(=O)NCC(=O)N(C)CCc1ccccn1)Cc1csc(N)n1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 19/20 0.58
▸ CTSD P07339 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL7391896 0.91 REN (0.66) RENCTSD
SCHEMBL7390896 0.91 REN (0.66) RENCTSD
SCHEMBL7391664 0.91 REN (0.66) RENCTSD
SCHEMBL7389348 0.91 REN (0.57) RENCTSD
SCHEMBL7392956 0.91 REN (0.62) RENCTSD
SCHEMBL7395549 0.90 REN (0.59) RENCTSD
SCHEMBL7390160 0.89 REN (0.60) RENCTSD
SCHEMBL7288703 0.89 REN (0.60) RENCTSD
SCHEMBL7288061 0.89 REN (0.60) RENCTSD
SCHEMBL7398044 0.88 REN (0.59) 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 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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