SCHEMBL5539550

SCHEMBL5539550

C[C@]1(COc2ccc(C3=CCN(C(=O)O)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.61
PTGS1 P23219 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
CACNA1C Q13936 1/20 0.43
SCN5A Q14524 1/20 0.43
KIT P10721 4/20 0.34
PRMT5 O14744 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 2/20 0.32
PKM P14618 1/20 0.32
CTSS P25774 1/20 0.32
KMT2A Q03164 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
SCHEMBL5539556 1.00 KCNH2 (0.61) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL6010707 0.91 KCNH2 (0.60) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL6010825 0.85 KCNH2 (0.68) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL6010718 0.83 KCNH2 (0.59) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL6010711 0.83 KCNH2 (0.59) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL12920573 0.83 KCNH2 (0.75) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5539213 0.83 KCNH2 (0.65) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5541530 0.83 PTGS1 (0.65) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5539219 0.83 KCNH2 (0.65) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5541521 0.83 PTGS1 (0.65) KCNH2PTGS1SLC6A2SLC6A4CACNA1C

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