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Alcuronium

Alcuronium

SCHEMBL1649633

C=CC[N+]12CCC34c5ccccc5N5C=C6C7C[C@H]8C9(CC[N+]8(CC=C)C/C7=C/CO)c7ccccc7N(/C=C(/C(C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69.[Cl-].[Cl-]

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CHRM2

The experimentally established mechanism targets of Alcuronium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 known ✓ P08172 2/20 0.98
▸ CHRNA7 P36544 14/20 0.98
▸ CHRNA4 P43681 1/20 0.98
▸ KCNH2 Q12809 1/20 0.98
▸ HTR3A P46098 5/20 0.39

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
Alcuronium SCHEMBL122972 1.00 CHRNA7 (0.98) CHRNA7CHRM2CHRNA4KCNH2HTR3A
Alcuronium SCHEMBL150079 0.99 CHRNA7 (1.00) CHRNA7CHRM2CHRNA4KCNH2HTR3A
Alcuronium SCHEMBL30817419 0.98 CHRNA7 (0.98) CHRNA7CHRM2CHRNA4KCNH2HTR3A
Hydrochloric Acid SCHEMBL31650965 0.83 CHRNA7 (1.00) CHRNA7CHRM2CHRNA4KCNH2HTR3A
Bisnordihydrotoxiferine SCHEMBL29525342 0.60 CHRNA7 (0.56) CHRNA7CHRM2CHRNA4KCNH2HTR3A
Isostrychnine SCHEMBL29898321 0.57 CHRNA7 (0.43) CHRNA7CHRM2CHRNA4KCNH2HTR3A
SCHEMBL31237286 0.54 GLRA1 (0.39) CHRNA7CHRM2CHRNA4KCNH2HTR3A
SCHEMBL20495361 0.44 ALDH1A1 (0.43) —
SCHEMBL19949789 0.43 ADRA1D (0.42) —
SCHEMBL2571298 0.43 ADRA1D (0.42) —

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
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 — — US disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 — — US disclosed
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