Galdansetron

Galdansetron

SCHEMBL635736

Cc1[nH]cnc1C[C@H]1CCc2c(c3ccccc3n2C)C1=O

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.61
CYP3A4 P08684 3/20 0.61
HTR3A P46098 3/20 0.61
CYP1A2 P05177 2/20 0.61
HTR2B P41595 2/20 0.61
ADRA2C P18825 1/20 0.61
HTR2A P28223 1/20 0.61
HTR2C P28335 1/20 0.61
ADRA1A P35348 1/20 0.61
CASP6 P55212 1/20 0.60
HTR3E A5X5Y0 2/20 0.58
HTR3B O95264 2/20 0.58
HTR3D Q70Z44 2/20 0.58
HTR3C Q8WXA8 2/20 0.58
CYP2D6 P10635 1/20 0.58
SLC22A2 O15244 1/20 0.58
SLC22A1 O15245 1/20 0.58
SLC22A3 O75751 1/20 0.58
CHRNB2 P17787 1/20 0.58
CHRNB4 P30926 1/20 0.58

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
Galdansetron SCHEMBL4564582 1.00 KCNH2 (0.61) KCNH2CYP3A4HTR3ACYP1A2HTR2B
Galdansetron SCHEMBL636713 0.99 CASP6 (0.62) KCNH2CYP3A4HTR3ACYP1A2HTR2B
Galdansetron SCHEMBL9597123 0.98 CASP6 (0.61) KCNH2CYP3A4HTR3ACYP1A2HTR2B
SCHEMBL9598110 0.94 CYP3A4 (0.59) KCNH2CYP3A4HTR3ACYP1A2HTR2B
Galdansetron SCHEMBL10522146 0.93 CYP3A4 (0.55) KCNH2CYP3A4HTR3ACYP1A2HTR2B
Galdansetron SCHEMBL10522157 0.93 CYP3A4 (0.55) KCNH2CYP3A4HTR3ACYP1A2HTR2B
Fumaric Acid SCHEMBL9597755 0.88 CYP3A4 (0.53) KCNH2CYP3A4HTR3ACYP1A2HTR2B
Maleic Acid SCHEMBL9597749 0.88 CYP3A4 (0.53) KCNH2CYP3A4HTR3ACYP1A2HTR2B
SCHEMBL13898240 0.88 CYP3A4 (0.47) KCNH2CYP3A4HTR3ACYP1A2HTR2B
SCHEMBL9596465 0.87 CYP3A4 (0.46) KCNH2CYP3A4HTR3ACYP1A2HTR2B

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 250 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016118540-A1 TREATING AND/OR PREVENTING EMESIS AND/OR NAUSEA INCLUDING ACUTE AND/OR DELAYED NAUSEA AND/OR EMESIS Xoc Pharmaceuticals, Inc. (US) 2016-07-28 WO claimed
US-20160206610-A1 METHODS FOR TREATING AND/OR PREVENTING EMESIS AND/OR NAUSEA INCLUDING ACUTE AND/OR DELAYED NAUSEA AND/OR ACUTE EMESIS AND/OR DELAYED EMESIS Xoc Pharmaceuticals, Inc. 2016-07-21 US claimed
US-9016221-B2 Surface topographies for non-toxic bioadhesion control UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-04-28 US claimed
US-8268352-B2 Modified release composition for highly soluble drugs TORRENT PHARMACEUTICALS LIMITED (IN) 2012-09-18 US claimed
US-8263125-B2 Dosage form for high dose-high solubility active ingredients that provides for immediate release and modified release of the active ingredients TORRENT PHARMACEUTICALS LIMITED (IN) 2012-09-11 US claimed
CN-1925846-B Use of a 5-HT3 receptor antagonist for the manufacture of a medicament for the treatment of non-digestive tract derived abdominal disorders associated with pain SOLVAY PHARM BV 2011-11-16 CN claimed
US-20100226943-A1 SURFACE TOPOGRAPHIES FOR NON-TOXIC BIOADHESION CONTROL UNIVERSITY OF FLORIDA (US) 2010-09-09 US claimed
WO-2009060089-A1 METHOD OF DIAGNOSIS AND SUBGROUP ANALYSIS IN SUBJECTS HAVING OR BEING SUSPECTED OF HAVING IRRITABLE BOWEL SYNDROME, NUCLEIC ACIDS AND KITS, AND THEIR USE UNIVERSITÄTSKLINIKUM HEIDELBERG (DE) 2009-05-14 WO claimed
CN-101330905-A Freeze-drying process and products obtained thereby SCIDOSE LLC (US) 2008-12-24 CN claimed
EP-1954244-A1 LYOPHILIZATION PROCESS AND PRODUCTS OBTAINED THEREBY Scidose, Llc (US) 2008-08-13 EP claimed
US-20060018933-A1 Novel drug delivery system TORRENT PHARMACEUTICALS LIMITED (IN) 2006-01-26 US claimed
US-20060018934-A1 Novel drug delivery system TORRENT PHARMACEUTICALS LIMITED (IN) 2006-01-26 US claimed
WO-2005089732-A1 USE OF A 5-HT3 RECEPTOR ANTAGONIST FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF NON-DIGESTIVE TRACT DERIVED ABDOMINAL DISORDERS ASSOCIATED WITH PAIN SOLVAY PHARMACEUTICALS GMBH (DE) 2005-09-29 WO claimed
US-20050209293-A1 Method of treating or inhibiting a non-digestive tract derived abdominal disorder associated with pain using a 5-HT, receptor antagonist SOLVAY PHARMACEUTICALS GMBH (DE) 2005-09-22 US claimed
EP-1336602-A1 Nitrate prodrugs able to release nitric oxide in a controlled and selective way and their use for prevention and treatment of inflammatory, ischemic and proliferative diseases Scaramuzzino, Giovanni (IT) 2003-08-20 EP claimed
WO-2002036113-A1 COMPOSITION COMPRISING: SEROTONIN RECEPTOR ANTAGONISTS (5HT-2, 5HT-3) AND AGONIST (5HT-4) RESPIRATORIUS AB (SE) 2002-05-10 WO claimed
WO-2002036114-A1 COMPOSITION COMPRISING SEROTONIN RECEPTOR ANTAGONISTS, 5 HT-2 AND 5 HT-3 RESPIRATORIUS AB (SE) 2002-05-10 WO claimed
WO-2001095902-A9 A COMPOSITION COMPRISING A COMBINATION OF RECEPTOR AGONISTS AND ANTAGONISTS 2002-04-25 WO claimed
WO-2001095902-A1 A COMPOSITION COMPRISING A COMBINATION OF RECEPTOR AGONISTS AND ANTAGONISTS RESPIRATORIUS AB (SE) 2001-12-20 WO claimed
WO-2001095903-A1 5-HT3 RECEPTOR ANTAGONISTS FOR TREATMENT OF DISORDERS INVOLVING AIRWAY CONSTRICTION RESPIRATORIUS AB (SE) 2001-12-20 WO claimed