SCHEMBL5534828

SCHEMBL5534828

CC1(CN2CCC(C(=O)O)CC2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.50
CACNA1C Q13936 1/20 0.50
SCN5A Q14524 1/20 0.50
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
RHOA P61586 1/20 0.39
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.32
HTR2A P28223 1/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
WNT1 P04628 1/20 0.31

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
SCHEMBL5534825 1.00 KCNH2 (0.50) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL3466062 0.89 KCNH2 (0.52) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL6010629 0.88 KCNH2 (0.49) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5539010 0.87 KCNH2 (0.48) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5539015 0.87 KCNH2 (0.48) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL4441668 0.85 KCNH2 (0.51) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL4441674 0.85 KCNH2 (0.51) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL4442211 0.85 KCNH2 (0.51) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5547792 0.85 KCNH2 (0.47) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5542244 0.85 KCNH2 (0.46) KCNH2CACNA1CSCN5APTGS1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed