SCHEMBL5542301

SCHEMBL5542301

CN(CCN1CCN(C(=O)O)CC1)CC1(C)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.44
CACNA1C Q13936 1/20 0.41
SCN5A Q14524 1/20 0.41
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SIGMAR1 Q99720 5/20 0.33
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL5542294 1.00 KCNH2 (0.44) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL6010742 0.88 KCNH2 (0.46) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL6010759 0.87 KCNH2 (0.41) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL6010750 0.87 KCNH2 (0.41) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL4442211 0.85 KCNH2 (0.51) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL4441668 0.85 KCNH2 (0.51) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL4441674 0.85 KCNH2 (0.51) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL6010850 0.82 KCNH2 (0.46) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5537476 0.81 PTGS1 (0.49) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5537471 0.81 PTGS1 (0.49) 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