SCHEMBL9700063

SCHEMBL9700063

CC(N)C(OC(N)=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.47
ADRA2C P18825 1/20 0.47
LMNA P02545 1/20 0.47
HIF1A Q16665 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALOX5 P09917 1/20 0.44
CYP3A4 P08684 3/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL19705616 1.00 ADRA2A (0.47) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL9700068 1.00 ADRA2A (0.47) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL28615504 0.89 ADRA2A (0.50) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL31060300 0.87 CYP1A2 (0.46) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL9094896 0.87 CYP1A2 (0.46) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL28615505 0.87 ADRA2A (0.48) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL29816355 0.86 CYP2D6 (0.52) LMNACYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL24931236 0.85 CYP3A4 (0.50) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL6250864 0.85 CYP3A4 (0.50) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL4407732 0.85 CYP3A4 (0.50) ADRA2AADRA2CLMNAHIF1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104490859-B For treating dopy and improving the composition of dopy corelation behaviour 爱思开生物制药株式会社 2017-09-22 CN claimed
CN-103025326-B The method for the treatment of restless legs syndrome SK BIOPHARMACEUTICALS CO.,LTD. (KR) 2015-07-29 CN claimed
CN-104490859-A Compositions For Treating Drug Addiction And Improving Addiction-related Behavior SK BIOPHARMACEUTICALS CO LTD 2015-04-08 CN claimed
CN-102695502-B Compositions for treating drug addiction and improving drug addiction-related behavior SK BIOPHARMACEUTICALS CO LTD 2014-12-24 CN claimed
CN-102781436-B Methods for treating fibromyalgia syndrome SK BIOPHARMACEUTICALS CO LTD 2014-01-08 CN claimed
CN-102762201-B Methods for treating attention-deficit/hyperactivity disorder SK BIOPHARMACEUTICALS CO LTD 2013-12-18 CN claimed
CN-103025326-A Methods of treating restless legs syndrome SK BIOPHARMACEUTICALS CO LTD 2013-04-03 CN claimed
CN-102985085-A Methods for treating bipolar disorder SK BIOPHARMACEUTICALS CO LTD 2013-03-20 CN claimed
CN-102781436-A Methods for treating fibromyalgia syndrome SK HOLDINGS CO LTD 2012-11-14 CN claimed
CN-102762201-A METHODS FOR TREATING ATTENTION-DEFICIT/HYPERACTIVITY DISORDER SK HOLDINGS CO LTD 2012-10-31 CN claimed
CN-101217949-B Treating Sleep-Wake Disorders SK CORP 2012-10-17 CN claimed
CN-102695502-A Compositions for treating drug addiction and improving drug addiction-related behavior SK HOLDINGS CO LTD 2012-09-26 CN claimed
CN-101217949-A Treating Sleep-Wake Disorders SK CORP (KR) 2008-07-09 CN claimed
CN-117479931-A Methods for treating Autism Spectrum Disorder (ASD) 爱思开生物制药株式会社 2024-01-30 CN disclosed
CN-110638805-A Promoting cessation of smoking 爵士制药国际III有限公司 2020-01-03 CN disclosed
CN-110638804-A Treating obesity 爵士制药国际III有限公司 2020-01-03 CN disclosed
CN-102481274-A Method for treating or preventing fatigue SK BIOPHARMACEUTICALS CO LTD 2012-05-30 CN disclosed
CN-101217949-A Treating Sleep-Wake Disorders SK CORP (KR) 2008-07-09 CN disclosed
CN-101132787-A Adjunctive therapy for depression SK CORP (KR) 2008-02-27 CN disclosed
US-5079167-A Enzymatic resolution of amino acid carbamate racemates GESELLSCHAFT FUR BIOTECHNOLOGISCHE FORSCHUNG MBH (GBF) (DE) 1992-01-07 US disclosed