SCHEMBL2723329

SCHEMBL2723329

C=C(CCl)C(=O)OCC[N+](C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 6/20 0.53
CHRM1 P11229 6/20 0.53
CHRM3 P20309 6/20 0.53
MAPT P10636 1/20 0.53
BLM P54132 1/20 0.53
CHRM2 P08172 5/20 0.52
CHRM4 P08173 5/20 0.52
CHRNB2 P17787 4/20 0.50
CHRNA4 P43681 4/20 0.50
CHRNA7 P36544 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTR1A P08908 2/20 0.50
ADRA2A P08913 1/20 0.50
ADRA1A P35348 1/20 0.50
PGR P06401 1/20 0.50
TBXA2R P21731 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA10 Q9GZZ6 1/20 0.50
CHRNA9 Q9UGM1 1/20 0.50

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
SCHEMBL8733322 0.86 CHRM5 (0.55) CHRM5CHRM1CHRM3MAPTBLM
SCHEMBL3786176 0.81 MAPT (0.59) CHRM5CHRM1CHRM3MAPTBLM
Hydrochloric Acid SCHEMBL15994085 0.79 MAPT (0.68) CHRM5CHRM1CHRM3MAPTBLM
SCHEMBL3786181 0.79 CHRM1 (0.52) CHRM5CHRM1CHRM3MAPTBLM
Ethyl Chloride SCHEMBL8743269 0.79 CHRM5 (0.57) CHRM5CHRM1CHRM3MAPTBLM
SCHEMBL3788608 0.79 CHRM5 (0.73) CHRM5CHRM1CHRM3MAPTBLM
Chloromethane SCHEMBL3843315 0.78 CHRM5 (0.61) CHRM5CHRM1CHRM3MAPTBLM
SCHEMBL180003 0.78 CHRM5 (0.65) CHRM5CHRM1CHRM3MAPTBLM
Hydrochloric Acid SCHEMBL15954 0.78 CHRM5 (0.65) CHRM5CHRM1CHRM3MAPTBLM
SCHEMBL5470639 0.78 TSHR (0.42) CHRM1SMN1; SMN2LMNATSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200173927-A1 METHOD AND PROBE FOR MONITORING OXYGEN STATUS IN LIVE MAMMALIAN CELLS UNIVERSITY COLLEGE CORK, NATIONAL UNIVERSITY OF IRELAND, CORK (IE) 2020-06-04 US claimed
EP-2630488-B1 Method of determining oxygen concentration in a live mammalian cell sample UNIV COLLEGE CORK NAT UNIV IE (IE) 2016-08-17 EP claimed
US-20130280751-A1 METHOD AND PROBE FOR MONITORING OXYGEN STATUS IN LIVE MAMMALIAN CELLS University College Cork, National University of Ir Cork (IE) 2013-10-24 US claimed
EP-2630488-A1 METHOD AND PROBE FOR MONITORING OXYGEN STATUS IN LIVE MAMMALIAN CELLS University College Cork, National University of Ireland, Cork (IE) 2013-08-28 EP claimed
WO-2012052068-A1 METHOD AND PROBE FOR MONITORING OXYGEN STATUS IN LIVE MAMMALIAN CELLS UNIVERSITY COLLEGE CORK, NATIONAL UNIVERSITY OF IRELAND, CORK (IE) 2012-04-26 WO claimed
US-20200173927-A1 METHOD AND PROBE FOR MONITORING OXYGEN STATUS IN LIVE MAMMALIAN CELLS UNIVERSITY COLLEGE CORK, NATIONAL UNIVERSITY OF IRELAND, CORK (IE) 2020-06-04 US disclosed
EP-2630488-B1 Method of determining oxygen concentration in a live mammalian cell sample UNIV COLLEGE CORK NAT UNIV IE (IE) 2016-08-17 EP disclosed
US-20130280751-A1 METHOD AND PROBE FOR MONITORING OXYGEN STATUS IN LIVE MAMMALIAN CELLS University College Cork, National University of Ir Cork (IE) 2013-10-24 US disclosed
EP-2630488-A1 METHOD AND PROBE FOR MONITORING OXYGEN STATUS IN LIVE MAMMALIAN CELLS University College Cork, National University of Ireland, Cork (IE) 2013-08-28 EP disclosed
WO-2012052068-A1 METHOD AND PROBE FOR MONITORING OXYGEN STATUS IN LIVE MAMMALIAN CELLS UNIVERSITY COLLEGE CORK, NATIONAL UNIVERSITY OF IRELAND, CORK (IE) 2012-04-26 WO disclosed
CN-101626769-A Pellets comprising an active substance matrix and a polymer coating, and a method for producing said pellets EVONIK ROEHM GMBH 2010-01-13 CN disclosed