SCHEMBL3365970

SCHEMBL3365970

CS(=O)(=O)O.[CsH]

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL128169 0.94 — —
SCHEMBL8596055 0.94 CA2 (0.58) —
SCHEMBL246838 0.94 CA2 (0.58) —
SCHEMBL25599 0.94 CA2 (0.58) —
SCHEMBL15109974 0.94 — —
SCHEMBL105 0.94 — —
SCHEMBL1448991 0.89 — —
SCHEMBL22581619 0.89 — —
SCHEMBL1774909 0.89 — —
SCHEMBL21641627 0.89 CA2 (0.54) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110507646-A Application of the artemisinin derivative in the drug of preparation antianxiety disease or the food of alleviation anxiety disorder UNIV GUANGZHOU CHINESE MEDICINE 2019-11-29 — — CN disclosed
CN-110464721-A Application of the artemisinin derivative in the drug or dormancy-aid food of preparation treatment insomnia UNIV GUANGZHOU CHINESE MEDICINE 2019-11-19 — — CN disclosed
CN-110446716-A Process for the preparation of 2-exo- (2-methylbenzyloxy) -1-methyl-4-isopropyl-7-oxabicyclo [2.2.1] heptane BASF AGRO BV 2019-11-12 — — CN disclosed
CN-110036493-A The luminescence component for having the semiconductor light-emitting elements of radiation deep ultraviolet light 国立研究开发法人情报通信研究机构 2019-07-19 — — CN disclosed
CN-108653313-A Applications of the miR-135a in the drug for preparing treatment myocardial fibrosis 中国药科大学 2018-10-16 — — CN disclosed
CN-107567284-A Contain the composition that is used to prevent, improve or treat sacred disease of the osmotin peptide as active ingredient 庆尚大学校产学协力团 2018-01-09 — — CN disclosed
CN-107275672-A It is a kind of containing rubidium and/or the sodium-ion battery electrolysis additive of caesium cation and its application 上海铷戈科技发展有限公司 2017-10-20 — — CN disclosed
CN-102464608-B Compound and as L-type calcium channel blocker or/and the application of acetylcholinesteraseinhibitors inhibitors JIANGSU SIMCERE PHARMACEUTICAL RESEARCH COMPANY LIMITED (CN) 2016-05-11 — — CN disclosed
CN-105481851-A Hexahydrobenzonaphthyridine-type optically active compound and pharmaceutical use thereof ZHAOLONG GONG 2016-04-13 — — CN disclosed
CN-104936596-A Neuroprotective CB2 receptor agonists CLEVELAND CLINIC FOUNDATION 2015-09-23 — — CN disclosed
EP-1664300-A1 A NEW CLASS OF A2DELTA CALCIUM CHANNEL SUBUNITS Neuromed Technologies, Inc. (CA) 2006-06-07 — — EP disclosed
EP-1664301-A1 NOVEL RAT CALCIUM CHANNEL SUBUNITS AND RELATED PROBES, CELL LINES AND METHODS Neuromed Technologies, Inc. (CA) 2006-06-07 — — EP disclosed
US-20060024661-A1 Modulation of CRF potentiation of NMDA receptor currents via CRF receptor 2 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-02-02 — — US disclosed
US-20050095678-A1 Novel rat calcium channel subunits and related probes, cell lines and methods ZALICUS PHARMACEUTICALS LTD. (CA) 2005-05-05 — — US disclosed
US-20050089961-A1 Class of alpha2delta calcium channel subunits ZALICUS PHARMACEUTICALS LTD. (CA) 2005-04-28 — — US disclosed
WO-2005019454-A1 NOVEL RAT CALCIUM CHANNEL SUBUNITS AND RELATED PROBES, CELL LINES AND METHODS NEUROMED TECHNOLOGIES, INC. (CA) 2005-03-03 — — WO disclosed
WO-2005017156-A1 A NEW CLASS OF α2δ CALCIUM CHANNEL SUBUNITS NEUROMED TECHNOLOGIES, INC. (CA) 2005-02-24 — — WO disclosed
CN-1411374-A Substituted piperazine and piperidine calcium channel blockers NEUROMED TECH INC (CA) 2003-04-16 — — CN disclosed
CN-1374294-A Polyisocyanate containing acyl urea group, its producing process and its application BAYER AG (DE) 2002-10-16 — — CN disclosed
US-20020123596-A1 Polyisocyanates containing acylurea groups, a process for their production and their use BAYER AKTIENGESELLSCHAFT (DE) 2002-09-05 — — US disclosed
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