SCHEMBL4889799

SCHEMBL4889799

CN1CCC(O[N+](=O)[O-])CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 5/20 0.39
SCN1A P35498 2/20 0.35
SCN2A Q99250 2/20 0.35
SCN3A Q9NY46 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2D6 P10635 2/20 0.35
CHRM1 P11229 2/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CHRM3 P20309 2/20 0.34

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
SCHEMBL9333191 0.79 EPHX1 (0.43) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL9329950 0.79 EPHX1 (0.43) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL9330677 0.79 HRH3 (0.40) HRH3CHRM3
SCHEMBL28921029 0.78
SCHEMBL8957333 0.78 GSR (0.50) GSRALDH1A1CA2
SCHEMBL1917816 0.78 CRHBP (0.36) GSRALDH1A1CA2
SCHEMBL9332527 0.78 HRH3 (0.37) GSRHRH3
SCHEMBL9330340 0.78 SMN1; SMN2 (0.40) GSRKMT2ACYP2D6HRH3CHRM3
SCHEMBL9344119 0.77 MAPK1 (0.40) MEN1KMT2ADRD3ALDH1A1MAPK1
SCHEMBL9344169 0.77 TSHR (0.39) MEN1KMT2ACYP2D6HRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0338599-A2 Diesel fuel composition ETHYL CORPORATION (US) 1989-10-25 EP claimed
EP-0195462-A2 Diesel fuel composition ETHYL CORPORATION (US) 1986-09-24 EP claimed
EP-0101093-A2 Diesel fuel composition ETHYL CORPORATION (US) 1984-02-22 EP claimed
US-4405334-A 1-ALKYLPIPERIDINOL NITRATE ESTER ANTIKNOCK ADDITIVE ETHYL CORPORATION (US) 1983-09-20 US claimed
US-20080223785-A1 Ionic Polymer Membranes MILLER JEFFREY T 2008-09-18 US disclosed
EP-1784250-A2 IONIC POLYMER MEMBRANES BP Corporation North America Inc. (US) 2007-05-16 EP disclosed
WO-2006028529-A2 IONIC POLYMER MEMBRANES BP CORPORATION NORTH AMERICA INC. (US) 2006-03-16 WO disclosed
US-20060049102-A1 Ionic polymer membranes BP CORPORATION NORTH AMERICA INC. 2006-03-09 US disclosed
EP-0366004-B1 Cyclic azaaliphatic compounds with a nitroxy group, process for their preparation and pharmaceutical compositions thereof BOEHRINGER MANNHEIM GMBH (DE) 1994-03-30 EP disclosed
US-5280031-A Cyclic azaaliphatic compounds with a nitroxy function, processes for the preparation thereof and pharmaceutical compositions containing them BOEHRINGER MANNHEIM GMBH (DE) 1994-01-18 US disclosed
US-5030641-A Treatment of angina pectoris, hypotensive agents BOEHRINGER MANNHEIM GMBH (DE) 1991-07-09 US disclosed
EP-0338599-A2 Diesel fuel composition ETHYL CORPORATION (US) 1989-10-25 EP disclosed
EP-0195462-A2 Diesel fuel composition ETHYL CORPORATION (US) 1986-09-24 EP disclosed
EP-0101093-A2 Diesel fuel composition ETHYL CORPORATION (US) 1984-02-22 EP disclosed
US-4405334-A 1-ALKYLPIPERIDINOL NITRATE ESTER ANTIKNOCK ADDITIVE ETHYL CORPORATION (US) 1983-09-20 US disclosed