SCHEMBL5543006

SCHEMBL5543006

O=COCCC1CNCCN1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.34
CXCR4 P61073 1/20 0.33
LTA4H P09960 1/20 0.32
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL5542975 0.86 CXCR4 (0.36) CXCR4HRH3
SCHEMBL5543312 0.86 CXCR4 (0.36) CXCR4HRH3
SCHEMBL27724414 0.84
SCHEMBL27672227 0.81 LTA4H (0.40) PARP1LTA4H
Hydrochloric Acid SCHEMBL28130491 0.79 LTA4H (0.39) PARP1LTA4H
Hydrochloric Acid SCHEMBL28861845 0.79 LTA4H (0.39) PARP1LTA4H
SCHEMBL28101864 0.76
SCHEMBL27750679 0.76 KMT2A (0.33) LTA4HHRH3
SCHEMBL5539783 0.75 CXCR4 (0.36) PARP1CXCR4LTA4H
SCHEMBL4836732 0.75 CXCR4 (0.36) PARP1CXCR4LTA4HHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111559983-B Continuous hydrogenation method of pyrazine-2-ethyl formate and application thereof 凯莱英生命科学技术(天津)有限公司 2020-11-06 CN claimed
CN-111559983-A Continuous hydrogenation method of pyrazine-2-ethyl formate and application thereof 凯莱英生命科学技术(天津)有限公司 2020-08-21 CN claimed
CN-111559983-B Continuous hydrogenation method of pyrazine-2-ethyl formate and application thereof 凯莱英生命科学技术(天津)有限公司 2020-11-06 CN disclosed
CN-111559983-B Continuous hydrogenation method of pyrazine-2-ethyl formate and application thereof 凯莱英生命科学技术(天津)有限公司 2020-11-06 CN disclosed
CN-111559983-A Continuous hydrogenation method of pyrazine-2-ethyl formate and application thereof 凯莱英生命科学技术(天津)有限公司 2020-08-21 CN disclosed
CN-111559983-A Continuous hydrogenation method of pyrazine-2-ethyl formate and application thereof 凯莱英生命科学技术(天津)有限公司 2020-08-21 CN disclosed
CN-110317214-A The huge ring of the diaryl of regulator as protein kinase 特普医药公司 2019-10-11 CN disclosed
CN-110317213-A The huge ring of the diaryl of regulator as protein kinase 特普医药公司 2019-10-11 CN disclosed
CN-106170289-B Diaryl macrocycles as modulators of protein kinases 特普医药公司 2019-07-23 CN disclosed
CN-109923113-A novel isoxazolyl ether derivatives as GABA A α 5 PAM 豪夫迈·罗氏有限公司 2019-06-21 CN disclosed
CN-106928245-B A kind of Quinolizinone type compounds and its preparation method and application 河南春风医药科技有限公司 2019-06-11 CN disclosed
CN-1733725-A Process for preparing 2-iminopyrrolidine derivatives EISAI CO LTD (JP) 2006-02-15 CN disclosed
CN-1720240-A Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORP (US) 2006-01-11 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
CN-1516687-A 3, 4-disubstituted cyclobutene-1, 2-diones as CXC-chemokine receptor ligands ���鹫˾ 2004-07-28 CN disclosed
CN-1503784-A 2-iminopyrrolidine derivatives ������������ʽ���� 2004-06-09 CN disclosed
CN-1130365-C Alpha-1 adrenergic compounds, pharmaceutical compositions containing the same and uses thereof ABBOTT CO (US) 2003-12-10 CN disclosed
CN-1255498-A Process for prepn. of growth hormone stimulating secretion agent and its intermediate PFIZER PROD INC (US) 2000-06-07 CN disclosed
CN-1246861-A Benzopyranopyrrole and benzopyranopyridine alpha-1 adrenergic compounds ABBOTT LAB (US) 2000-03-08 CN disclosed
CN-87104648-A Nitrofuran derivatives and preparation method thereof and the application in treatment 1988-04-13 CN disclosed