SCHEMBL5541530

SCHEMBL5541530

CC1(COc2ccc(N3CCN(C(=O)O)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.65
SLC6A2 P23975 1/20 0.65
SLC6A4 P31645 1/20 0.65
KCNH2 Q12809 5/20 0.65
LMNA P02545 4/20 0.42
MAPT P10636 6/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ENPP2 Q13822 3/20 0.41
CACNA1C Q13936 1/20 0.40
SCN5A Q14524 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL5541521 1.00 PTGS1 (0.65) PTGS1SLC6A2SLC6A4KCNH2LMNA
SCHEMBL6010760 0.91 PTGS1 (0.63) PTGS1SLC6A2SLC6A4KCNH2LMNA
SCHEMBL5535402 0.91 KCNH2 (0.57) PTGS1SLC6A2SLC6A4KCNH2LMNA
SCHEMBL5535416 0.91 KCNH2 (0.57) PTGS1SLC6A2SLC6A4KCNH2LMNA
SCHEMBL5535406 0.91 KCNH2 (0.57) PTGS1SLC6A2SLC6A4KCNH2LMNA
SCHEMBL2089499 0.90 PTGS1 (0.64) PTGS1SLC6A2SLC6A4KCNH2LMNA
SCHEMBL2089496 0.90 PTGS1 (0.64) PTGS1SLC6A2SLC6A4KCNH2LMNA
SCHEMBL5539213 0.90 KCNH2 (0.65) PTGS1SLC6A2SLC6A4KCNH2LMNA
SCHEMBL5539219 0.90 KCNH2 (0.65) PTGS1SLC6A2SLC6A4KCNH2LMNA
SCHEMBL5546516 0.88 KCNH2 (0.68) PTGS1SLC6A2SLC6A4KCNH2LMNA

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