SCHEMBL5537665

SCHEMBL5537665

CC1(COc2ccc(N3CCC(C(=O)O)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.70
SLC6A2 P23975 1/20 0.70
SLC6A4 P31645 1/20 0.70
KCNH2 Q12809 6/20 0.63
MAPT P10636 6/20 0.40
RHOA P61586 1/20 0.39
CACNA1C Q13936 1/20 0.39
SCN5A Q14524 1/20 0.39
GALR3 O60755 1/20 0.36
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
S1PR1 P21453 1/20 0.35
ALDH1A1 P00352 1/20 0.35
FFAR1 O14842 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
SCHEMBL5537662 1.00 PTGS1 (0.70) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL6010967 0.90 PTGS1 (0.66) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL2091590 0.89 PTGS1 (0.71) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL2091585 0.89 PTGS1 (0.71) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL5541521 0.88 PTGS1 (0.65) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL5541530 0.88 PTGS1 (0.65) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL6010972 0.88 KCNH2 (0.58) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL14562855 0.85 KCNH2 (0.68) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL5547591 0.85 KCNH2 (0.68) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL3466816 0.85 KCNH2 (0.68) PTGS1SLC6A2SLC6A4KCNH2MAPT

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