SCHEMBL7388231

SCHEMBL7388231

CN(CCc1ccccn1)C(=O)CNC(=O)C[C@@H](Cc1csc(N)n1)C(=O)N(CC1CCCCC1)[C@@H](CC1CCCCC1)[C@@H](O)CSc1nnnn1C

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 13/20 0.51
▸ CTSD P07339 1/20 0.51
▸ LMNA P02545 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ BMP1 P13497 1/20 0.31

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
SCHEMBL7389853 0.87 REN (0.58) RENCTSDLMNAALDH1A1L3MBTL1
SCHEMBL7390896 0.85 REN (0.66) RENCTSD
SCHEMBL7391664 0.85 REN (0.66) RENCTSD
SCHEMBL7391896 0.85 REN (0.66) RENCTSD
SCHEMBL7386105 0.84 REN (0.55) RENCTSDLMNAALDH1A1L3MBTL1
SCHEMBL7390440 0.82 REN (0.73) RENCTSD
SCHEMBL7390443 0.82 REN (0.73) RENCTSD
SCHEMBL7290440 0.80 REN (0.52) RENCTSDLMNAALDH1A1MMP2
SCHEMBL7392956 0.80 REN (0.62) RENCTSD
SCHEMBL7390160 0.79 REN (0.60) 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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