SCHEMBL5535402

SCHEMBL5535402

C[C@]1(COc2cccc(N3CCN(C(=O)O)CC3)c2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.57
PTGS1 P23219 1/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
ENPP2 Q13822 10/20 0.44
LMNA P02545 1/20 0.42
CACNA1C Q13936 1/20 0.38
SCN5A Q14524 1/20 0.38
SLC6A9 P48067 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
CCKAR P32238 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL5535416 1.00 KCNH2 (0.57) KCNH2PTGS1SLC6A2SLC6A4ENPP2
SCHEMBL5535406 1.00 KCNH2 (0.57) KCNH2PTGS1SLC6A2SLC6A4ENPP2
SCHEMBL5541530 0.91 PTGS1 (0.65) KCNH2PTGS1SLC6A2SLC6A4ENPP2
SCHEMBL5541521 0.91 PTGS1 (0.65) KCNH2PTGS1SLC6A2SLC6A4ENPP2
SCHEMBL6010817 0.90 KCNH2 (0.56) KCNH2PTGS1SLC6A2SLC6A4ENPP2
SCHEMBL6010831 0.88 KCNH2 (0.53) KCNH2PTGS1SLC6A2SLC6A4ENPP2
SCHEMBL6010822 0.88 KCNH2 (0.53) KCNH2PTGS1SLC6A2SLC6A4ENPP2
SCHEMBL5541560 0.87 KCNH2 (0.58) KCNH2PTGS1SLC6A2SLC6A4LMNA
SCHEMBL5541573 0.87 KCNH2 (0.58) KCNH2PTGS1SLC6A2SLC6A4LMNA
SCHEMBL5541554 0.87 KCNH2 (0.58) KCNH2PTGS1SLC6A2SLC6A4LMNA

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