Azasetron

Azasetron

SCHEMBL1649657

CN1C(=O)COc2c(C(=O)NC3CN4CCC3CC4)cc(Cl)cc21.[Cl-].[H+]

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.96
KCNH2 Q12809 2/20 0.96
HTR2A P28223 1/20 0.96
SLC6A4 P31645 1/20 0.96
HRH1 P35367 1/20 0.96
PDE4D Q08499 1/20 0.96
TDP1 Q9NUW8 1/20 0.96
CYP1A2 P05177 1/20 0.96

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
Azasetron SCHEMBL29089146 0.98 HTR3A (0.96) HTR3AKCNH2HTR2ASLC6A4HRH1
Azasetron SCHEMBL29880168 0.98 HTR3A (1.00) HTR3AKCNH2HTR2ASLC6A4HRH1
Azasetron SCHEMBL17190 0.98 HTR3A (1.00) HTR3AKCNH2HTR2ASLC6A4HRH1
Azasetron SCHEMBL13186328 0.98 HTR3A (1.00) HTR3AKCNH2HTR2ASLC6A4HRH1
Azasetron SCHEMBL19463750 0.98 HTR3A (1.00) HTR3AKCNH2HTR2ASLC6A4HRH1
Azasetron SCHEMBL17191 0.98 HTR3A (1.00) HTR3AKCNH2HTR2ASLC6A4HRH1
Azasetron SCHEMBL19492326 0.98 HTR3A (1.00) HTR3AKCNH2HTR2ASLC6A4HRH1
Azasetron SCHEMBL1023863 0.97 HTR3A (0.98) HTR3AKCNH2HTR2ASLC6A4HRH1
Azasetron SCHEMBL442156 0.97 HTR3A (0.98) HTR3AKCNH2HTR2ASLC6A4HRH1
Azasetron SCHEMBL19463074 0.93 HTR3A (0.89) HTR3AKCNH2HTR2ASLC6A4HRH1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118435968-A Antibacterial deodorizing spray for garbage stacking area and preparation method and application thereof 宁波绅特英医疗健康发展有限公司 2024-08-06 CN disclosed
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