SCHEMBL7290440

SCHEMBL7290440

COC1(CN(C(=O)[C@@H](CC(=O)NCC(=O)N(C)CCc2ccccn2)Cc2csc(N)n2)[C@@H](CC2CCCCC2)[C@@H](O)CC2CC2)CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 15/20 0.52
▸ CTSD P07339 1/20 0.52
▸ LMNA P02545 1/20 0.33
▸ BMP1 P13497 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MMP2 P08253 1/20 0.33

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
SCHEMBL7288540 0.94 REN (0.58) RENCTSD
SCHEMBL7288061 0.88 REN (0.60) RENCTSD
SCHEMBL7288703 0.88 REN (0.60) RENCTSD
SCHEMBL7398044 0.87 REN (0.59) RENCTSD
SCHEMBL7389853 0.85 REN (0.58) RENCTSDLMNABMP1ALDH1A1
SCHEMBL7391664 0.84 REN (0.66) RENCTSD
SCHEMBL7390896 0.84 REN (0.66) RENCTSD
SCHEMBL7391896 0.84 REN (0.66) RENCTSD
SCHEMBL7392956 0.84 REN (0.62) RENCTSD
SCHEMBL7386105 0.83 REN (0.55) RENCTSDLMNABMP1ALDH1A1

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-0589446-B1 N-(Hydroxyethyl)butanediamide derivatives as renin inhibitors BOEHRINGER INGELHEIM CA LTD (CA) 1997-09-03 — — EP disclosed
WO-1994007845-A1 N-(HYDROXYETHYL)BUTANEDIAMIDE DERIVATIVES AS RENIN INHIBITORS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-04-14 — — WO disclosed
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