Dolasetron

Dolasetron

SCHEMBL20769824

O=C(O[C@@H]1C[C@@H]2C[C@@H]3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12.O=C(O[C@@H]1C[C@@H]2C[C@@H]3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

HTR3A

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

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A known ✓ P46098 8/20 1.00
KCNH2 Q12809 5/20 1.00
SLC6A4 P31645 2/20 1.00
HTR3E A5X5Y0 7/20 0.72
HTR3B O95264 7/20 0.72
HTR3D Q70Z44 7/20 0.72
HTR3C Q8WXA8 7/20 0.72
HTR1A P08908 2/20 0.72
HTR2B P41595 2/20 0.72
HTR4 Q13639 2/20 0.72
HTR1D P28221 1/20 0.72
HTR1B P28222 1/20 0.72
HTR2A P28223 1/20 0.72
HTR2C P28335 1/20 0.72
HTR1E P28566 1/20 0.72
HTR1F P30939 1/20 0.72
HTR7 P34969 1/20 0.72
HTR5A P47898 1/20 0.72
HTR6 P50406 1/20 0.72
CHRNB2 P17787 3/20 0.65

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
Dolasetron SCHEMBL29356821 1.00 HTR3A (1.00) HTR3AKCNH2SLC6A4HTR3EHTR3B
Dolasetron SCHEMBL14014817 1.00 HTR3A (1.00) HTR3AKCNH2SLC6A4HTR3EHTR3B
Dolasetron SCHEMBL29390207 1.00 HTR3A (1.00) HTR3AKCNH2SLC6A4HTR3EHTR3B
Dolasetron SCHEMBL13575734 1.00 HTR3A (1.00) HTR3AKCNH2SLC6A4HTR3EHTR3B
Dolasetron SCHEMBL1819898 1.00 HTR3A (1.00) HTR3AKCNH2SLC6A4HTR3EHTR3B
Dolasetron SCHEMBL42064 1.00 HTR3A (1.00) HTR3AKCNH2SLC6A4HTR3EHTR3B
Dolasetron SCHEMBL24914047 1.00 HTR3A (1.00) HTR3AKCNH2SLC6A4HTR3EHTR3B
Dolasetron SCHEMBL1819896 1.00 HTR3A (1.00) HTR3AKCNH2SLC6A4HTR3EHTR3B
Dolasetron SCHEMBL14014809 1.00 HTR3A (1.00) HTR3AKCNH2SLC6A4HTR3EHTR3B
Dolasetron SCHEMBL4450258 1.00 HTR3A (1.00) HTR3AKCNH2SLC6A4HTR3EHTR3B

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-3675838-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS Puretecch LYT, Inc. (US) 2020-07-08 EP disclosed
WO-2019046491-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS ARIYA THERAPEUTICS, INC. (US) 2019-03-07 WO disclosed