SCHEMBL632919

SCHEMBL632919

O=c1ccc2c(C3CO3)ccc(OCc3ccccc3)c2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.44
ADORA3 P0DMS8 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
HTR1A P08908 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SRD5A2 P31213 1/20 0.37
LTA4H P09960 1/20 0.36
PLA2G2A P14555 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAOB P27338 2/20 0.36

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
SCHEMBL865843 1.00 PIK3CG (0.44) PIK3CGADORA3SIRT2ADAMTS5HTR1A
SCHEMBL29634508 1.00 PIK3CG (0.44) PIK3CGADORA3SIRT2ADAMTS5HTR1A
SCHEMBL866306 1.00 PIK3CG (0.44) PIK3CGADORA3SIRT2ADAMTS5HTR1A
SCHEMBL30092323 0.88 SLC6A4 (0.43) PIK3CGHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL25666164 0.88 SLC6A4 (0.43) PIK3CGHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL25666254 0.85 HTR1A (0.47) PIK3CGADORA3HTR1ASLC6A2SLC6A4
SCHEMBL866075 0.82 ADORA3 (0.45) PIK3CGADORA3SIRT2ADAMTS5SRD5A2
SCHEMBL14355700 0.80 MAPT (0.39) MAPTKDM4EALDH1A1POLBCA9
SCHEMBL24689334 0.79 ADORA3 (0.43) PIK3CGADORA3SIRT2LTA4HPLA2G2A
SCHEMBL24689336 0.79 FEN1 (0.42) PIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115521254-B Indanterol derivative and preparation method and application thereof 中国药科大学 2024-05-31 CN disclosed
CN-115521254-A Indanterol derivative and preparation method and application thereof 中国药科大学 2022-12-27 CN disclosed
CN-107531636-B Process for preparing indacaterol or salt thereof 正大天晴药业集团股份有限公司 2022-11-25 CN disclosed
WO-2022172292-A1 A PROCESS FOR PREPARING ABEDITEROL AND INTERMEDIATES THEREOF GBR LABORATORIES PRIVATE LIMITED (IN) 2022-08-18 WO disclosed
CN-114591236-A Improved preparation method of indacaterol 四川海思科制药有限公司 2022-06-07 CN disclosed
CN-109721534-B Indacaterol maleate intermediate and preparation method and application thereof 四川海思科制药有限公司 2022-05-20 CN disclosed
EP-3735406-B1 A PROCESS FOR PREPARATION OF 5-(2-(SUBSTITUTED-AMINO)-1-HYDROXYETHYL)-8-(SUBSTITUTED-OXY) QUINOLIN-2(1H)-ONE DEVA HOLDING AS (TR) 2022-05-11 EP disclosed
CN-110343068-B 2-amino-2-quinolyl ethanol beta 2-receptor agonist and preparation method and application thereof 沈阳药科大学 2022-02-11 CN disclosed
CN-111808021-B Preparation method of indacaterol and salt thereof 上海谷森医药有限公司 2021-08-31 CN disclosed
CN-108101841-B Method for preparing indacaterol or salt thereof 江苏恒瑞医药股份有限公司 2021-04-06 CN disclosed
EP-1341542-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2003-09-10 EP disclosed
WO-2002045703-A2 MIXTURES OR ORGANIC COMPOUNDS FOR THE TREATMENTOF AIRWAY DISEASES NOVARTIS AG (CH) 2002-06-13 WO disclosed
EP-1183240-A1 BETA2-ADRENOCEPTOR AGONISTS Novartis AG (CH) 2002-03-06 EP disclosed
WO-2000075114-A1 BETA2-ADRENOCEPTOR AGONISTS NOVARTIS AG (CH) 2000-12-14 WO disclosed
US-5750701-A Heterocyclic ethanolamine derivatives with β-adrenoreceptor agonistic activity SMITHKLINE BEECHAM PLC (GB) 1998-05-12 US disclosed
EP-0750617-A1 NOVEL HETEROCYCLIC ETHANOLAMINE DERIVATIVES WITH BETA-ADRENORECEPTOR AGONISTIC ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1997-01-02 EP disclosed
WO-1995025104-A1 NOVEL HETEROCYCLIC ETHANOLAMINE DERIVATIVES WITH BETA-ADRENORECEPTOR AGONISTIC ACTIVITY SMITHKLINE BEECHAM P.L.C. (GB) 1995-09-21 WO disclosed
US-4894219-A ADRENERGIC BLOCKING AGENTS, ANALYZING UNIVERSITY OF FLORIDA (US) 1990-01-16 US disclosed
US-4853381-A Ethanolamine compounds GLAXO GROUP LIMITED (GB) 1989-08-01 US disclosed
EP-0223410-A2 Ethanolamine Derivatives GLAXO GROUP LIMITED (GB) 1987-05-27 EP disclosed