SCHEMBL5541573

SCHEMBL5541573

C[C@]1(COc2ccc(N3CCN(C(=O)O)CC3)c(Cl)c2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.58
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
ALDH1A1 P00352 9/20 0.39
MAPT P10636 8/20 0.39
LMNA P02545 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
CACNA1C Q13936 1/20 0.38
SCN5A Q14524 1/20 0.38
RECQL P46063 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL5541560 1.00 KCNH2 (0.58) KCNH2PTGS1SLC6A2SLC6A4ALDH1A1
SCHEMBL5541554 1.00 KCNH2 (0.58) KCNH2PTGS1SLC6A2SLC6A4ALDH1A1
SCHEMBL6010892 0.91 KCNH2 (0.57) KCNH2PTGS1SLC6A2SLC6A4ALDH1A1
SCHEMBL6010897 0.88 KCNH2 (0.54) KCNH2PTGS1SLC6A2SLC6A4ALDH1A1
SCHEMBL6010900 0.88 KCNH2 (0.54) KCNH2PTGS1SLC6A2SLC6A4ALDH1A1
SCHEMBL5541521 0.88 PTGS1 (0.65) KCNH2PTGS1SLC6A2SLC6A4ALDH1A1
SCHEMBL5541530 0.88 PTGS1 (0.65) KCNH2PTGS1SLC6A2SLC6A4ALDH1A1
SCHEMBL5535416 0.87 KCNH2 (0.57) KCNH2PTGS1SLC6A2SLC6A4LMNA
SCHEMBL5535402 0.87 KCNH2 (0.57) KCNH2PTGS1SLC6A2SLC6A4LMNA
SCHEMBL5535406 0.87 KCNH2 (0.57) 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