Itasetron

Itasetron

SCHEMBL62124

CN1[C@@H]2CC[C@H]1CC(NC(=O)n1c(=O)[nH]c3ccccc31)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.70
HTR4 Q13639 2/20 0.70
TMEM97 Q5BJF2 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53

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
Itasetron SCHEMBL62123 1.00 HTR3A (0.70) HTR3AHTR4TMEM97SIGMAR1HTR3E
Itasetron SCHEMBL18311459 1.00 HTR3A (0.70) HTR3AHTR4TMEM97SIGMAR1HTR3E
Itasetron SCHEMBL1821834 1.00 HTR3A (0.70) HTR3AHTR4TMEM97SIGMAR1HTR3E
Itasetron SCHEMBL31406725 1.00 HTR3A (0.70) HTR3AHTR4TMEM97SIGMAR1HTR3E
Itasetron SCHEMBL7342367 0.99 HTR3A (0.69) HTR3AHTR4TMEM97SIGMAR1HTR3E
Itasetron SCHEMBL4828092 0.99 HTR3A (0.69) HTR3AHTR4TMEM97SIGMAR1HTR3E
Itasetron SCHEMBL4828089 0.99 HTR3A (0.69) HTR3AHTR4TMEM97SIGMAR1HTR3E
Itasetron SCHEMBL8720455 0.98 HTR3A (0.67) HTR3AHTR4TMEM97SIGMAR1HTR3E
Itasetron SCHEMBL1651310 0.98 HTR3A (0.67) HTR3AHTR4TMEM97SIGMAR1HTR3E
Itasetron SCHEMBL7107757 0.97 HTR3A (0.66) HTR3AHTR4TMEM97SIGMAR1HTR3E

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

Appears in 8031 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260116861-A1 ISOXAZOLE HYDROXAMIC ACIDS AS HISTONE DEACETYLASE 6 INHIBITORS THE GEORGE WASHINGTON UNIVERSITY, A CONGRESSIONALLY CHARTERED NOT-FOR-PROFIT CORPORATION (US) 2026-04-30 US claimed
US-12522572-B2 Isoxazole hydroxamic acids as histone deacetylase 6 inhibitors THE GEORGE WASHINGTON UNIVERSITY, A CONGRESSIONALLY CHARTERED NOT-FOR-PROFIT CORPORATION (US) 2026-01-13 US claimed
US-20240343697-A1 ISOXAZOLE HYDROXAMIC ACIDS AS HISTONE DEACETYLASE 6 INHIBITORS THE GEORGE WASHINGTON UNIVERSITY, A CONGRESSIONALLY CHARTERED NOT-FOR-PROFIT CORPORATION (US) 2024-10-17 US claimed
US-11547700-B2 Compositions and methods for treating synucleinopathies CHASE THERAPEUTICS CORPORATION (US) 2023-01-10 US claimed
US-11345956-B2 Methods and compositions related to prostate cancer therapeutics THE JOHNS HOPKINS UNIVERSITY (US) 2022-05-31 US claimed
US-11207289-B2 Use of benzofuran lignans to induce IL-25 expression and suppress mammary tumor metastasis ACADEMIA SINICA (TW) 2021-12-28 US claimed
US-10953073-B2 XTEN conjugate compositions and methods of making same AMUNIX PHARMACEUTICALS, INC. (US) 2021-03-23 US claimed
US-20210060040-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2021-03-04 US claimed
EP-3191114-B1 OCCIDIOFUNGIN FORMULATIONS AND USES THEREOF UNIV MISSISSIPPI STATE (US) 2021-03-03 EP claimed
US-20200289454-A1 USE OF BENZOFURAN LIGNANS TO INDUCE IL-25 EXPRESSION AND SUPPRESS MAMMARY TUMOR METASTASIS Yang, Ning-Sun (TW) 2020-09-17 US claimed
US-6235745-B1 ADMINISTERING WITH LAXATIVE JANSSEN PHARMACEUTICA N.V. (BE) 2001-05-22 US claimed
EP-1085888-A1 MULTIVALENT AGONISTS, PARTIAL AGONISTS, INVERSE AGONISTS AND ANTAGONISTS OF THE 5-HT 3? RECEPTORS Advanced Medicine, Inc. (US) 2001-03-28 EP claimed
CN-1281357-A Medicaments GLAXO GROUP LTD (GB) 2001-01-24 CN claimed
WO-2000076500-A2 COMPOUND FOR USE AS A MEDICAMENT FOR TREATMENT OF DISORDERS INVOLVING BRONCHOCONTRACTION RESPIRATORIUS AB (SE) 2000-12-21 WO claimed
EP-1021174-A2 MEDICAMENTS GLAXO GROUP LIMITED (GB) 2000-07-26 EP claimed
WO-1999064046-A9 MULTIVALENT AGONISTS, PARTIAL AGONISTS, INVERSE AGONISTS AND ANTAGONISTS OF THE 5-HT3 RECEPTORS ADVANCED MEDICINE INC (US) 2000-04-20 WO claimed
EP-0975327-A1 USE OF 5HT3 ANTAGONISTS FOR PROMOTING INTESTINAL LAVAGE JANSSEN PHARMACEUTICA N.V. (BE) 2000-02-02 EP claimed
WO-1999064046-A1 MULTIVALENT AGONISTS, PARTIAL AGONISTS, INVERSE AGONISTS AND ANTAGONISTS OF THE 5-HT3 RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO claimed
WO-1999017755-A2 MEDICAMENTS GLAXO GROUP LIMITED (GB) 1999-04-15 WO claimed
WO-1998047481-A1 USE OF 5HT3 ANTAGONISTS FOR PROMOTING INTESTINAL LAVAGE JANSSEN PHARMACEUTICA N.V. (BE) 1998-10-29 WO claimed