SCHEMBL724473

SCHEMBL724473

C[N+](C)(C)CCOCC=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 6/20 0.39
CHRM1 P11229 6/20 0.39
CHRM3 P20309 6/20 0.39
CHRM2 P08172 5/20 0.39
CHRM4 P08173 5/20 0.39
CHRNB2 P17787 4/20 0.39
CHRNA4 P43681 4/20 0.39
CHRNA7 P36544 3/20 0.39
HTR1A P08908 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
PGR P06401 1/20 0.39
TBXA2R P21731 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA10 Q9GZZ6 1/20 0.39
CHRNA9 Q9UGM1 1/20 0.39
TSHR P16473 2/20 0.38
CYP2C19 P33261 2/20 0.38

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
SCHEMBL299324 0.75 MEN1 (0.45) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL6656338 0.74
SCHEMBL345651 0.74 CHRM5 (0.46) CHRM5CHRM1CHRM3CHRM2CHRM4
Ammonia Solution, Strong SCHEMBL5936905 0.73 MEN1 (0.43) CHRM5CHRM1CHRM3CHRM2CHRM4
Hydrochloric Acid SCHEMBL9193442 0.73 MEN1 (0.43) CHRM5CHRM1CHRM3CHRM2CHRM4
Bromide SCHEMBL28351059 0.73 GALR3 (0.38) CHRM5CHRM1CHRM3CHRM2CHRM4
Hydrochloric Acid SCHEMBL3717728 0.73 CHRM5 (0.38) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL2422200 0.72 ALDH1A1 (0.32) TSHR
SCHEMBL12560592 0.72 CHRM5 (0.43) CHRM5CHRM1CHRM3CHRM2CHRM4
Hydrochloric Acid SCHEMBL9403409 0.72 CHRM5 (0.48) CHRM5CHRM1CHRM3CHRM2CHRM4

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10161937-B2 Systems, methods, and workflows for optogenetics analysis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-12-25 US disclosed
US-20180031553-A1 SYSTEMS, METHODS, AND WORKFLOWS FOR OPTOGENETICS ANALYSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-02-01 US disclosed
EP-3193835-A1 LIQUID INHALATION FORMULATION COMPRISING RPL554 Verona Pharma PLC (GB) 2017-07-26 EP disclosed
US-9702874-B2 Systems, methods, and workflows for optogenetics analysis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-07-11 US disclosed
WO-2016042313-A1 LIQUID INHALATION FORMULATION COMPRISING RPL554 VERONA PHARMA PLC (GB) 2016-03-24 WO disclosed
US-20160069876-A1 SYSTEMS, METHODS, AND WORKFLOWS FOR OPTOGENETICS ANALYSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-03-10 US disclosed
CN-103168236-B Optogenetic probes for membrane potential determination PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-01-20 CN disclosed
US-9207237-B2 Systems, methods, and workflows for optogenetics analysis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-12-08 US disclosed
US-20140295413-A1 SYSTEMS, METHODS, AND WORKFLOWS FOR OPTOGENETICS ANALYSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-02 US disclosed
EP-2609425-A1 OPTOGENETIC PROBES FOR MEASURING MEMBRANE POTENTIAL President and Fellows of Harvard College (US) 2013-07-03 EP disclosed
WO-2012027358-A1 OPTOGENETIC PROBES FOR MEASURING MEMBRANE POTENTIAL PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-01 WO disclosed
US-5776776-A TO REGULATE THE TRANSCRIPTION OF CARDIAC SPECIFIC GENES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-07-07 US disclosed