SCHEMBL7392290

SCHEMBL7392290

CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)N(CC(=O)N(C)CCc1ccccn1)C(=O)[C@@H](CC(=O)NCc1cccs1)Cc1csc(N)n1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.62
▸ CTSD P07339 1/20 0.62

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
SCHEMBL7392528 0.95 REN (0.67) RENCTSD
SCHEMBL7384970 0.93 REN (0.63) RENCTSD
SCHEMBL7389108 0.91 REN (0.61) RENCTSD
SCHEMBL7392113 0.90 REN (0.61) RENCTSD
SCHEMBL7389362 0.89 REN (0.57) RENCTSD
SCHEMBL7382671 0.89 REN (0.62) RENCTSD
SCHEMBL7391411 0.89 REN (0.66) RENCTSD
SCHEMBL7390896 0.88 REN (0.66) RENCTSD
SCHEMBL7391664 0.88 REN (0.66) RENCTSD
SCHEMBL7391896 0.88 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 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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