SCHEMBL7389362

SCHEMBL7389362

CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)N(CC(=O)N(C)C)C(=O)[C@@H](CC(=O)NCc1ccccn1)Cc1csc(N)n1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 16/20 0.57
▸ CTSD P07339 1/20 0.57
▸ HPGD P15428 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 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
SCHEMBL7392528 0.93 REN (0.67) RENCTSD
SCHEMBL7384970 0.90 REN (0.63) RENCTSD
SCHEMBL7383323 0.89 REN (0.49) RENCTSD
SCHEMBL7388466 0.89 REN (0.49) RENCTSD
SCHEMBL7395091 0.89 REN (0.45) RENCTSD
SCHEMBL7392290 0.89 REN (0.62) RENCTSD
SCHEMBL7394858 0.89 REN (0.46) RENCTSDHPGDRECQLMEN1
SCHEMBL7389545 0.88 REN (0.51) RENCTSD
SCHEMBL7389108 0.88 REN (0.61) RENCTSD
SCHEMBL7392113 0.88 REN (0.61) 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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