SCHEMBL5547600

SCHEMBL5547600

C[C@]1(CN2CCC(OC(=O)NCCc3ccc(C(F)(F)F)cc3)CC2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
KCNH2 Q12809 7/20 0.45
CACNA1C Q13936 1/20 0.45
SCN5A Q14524 1/20 0.45
CHRM1 P11229 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TGM2 P21980 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC2A1 P11166 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
OPRK1 P41145 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
SCHEMBL5537936 0.86 KCNH2 (0.47) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5537159 0.86 PTGS1 (0.49) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5537931 0.86 KCNH2 (0.47) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5537165 0.86 PTGS1 (0.49) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5543725 0.84 KCNH2 (0.50) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5543720 0.84 KCNH2 (0.50) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5535213 0.82 PTGS1 (0.63) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5535209 0.82 PTGS1 (0.63) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5542567 0.82 PTGS1 (0.63) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5541677 0.82 SIGMAR1 (0.47) PTGS1SLC6A2SLC6A4KCNH2CACNA1C

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