SCHEMBL5547608

SCHEMBL5547608

CC1(CN2CCC(N(CCc3ccc(C(F)(F)F)cc3)C(=O)O)CC2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.45
CACNA1C Q13936 1/20 0.45
SCN5A Q14524 1/20 0.45
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
GPR119 Q8TDV5 1/20 0.34
OPRM1 P35372 2/20 0.34
OPRK1 P41145 1/20 0.34
SLC2A1 P11166 1/20 0.33
UBE2M P61081 3/20 0.33
DCUN1D1 Q96GG9 3/20 0.33
CHRM1 P11229 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CCR5 P51681 1/20 0.32
ARG1 P05089 1/20 0.32
ARG2 P78540 1/20 0.32

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
SCHEMBL5547597 1.00 KCNH2 (0.45) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL6010780 0.93 KCNH2 (0.46) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL6010794 0.93 KCNH2 (0.46) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL6010603 0.91 KCNH2 (0.43) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL6010606 0.85 KCNH2 (0.44) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5537931 0.85 KCNH2 (0.47) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5537936 0.85 KCNH2 (0.47) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL6010998 0.84 KCNH2 (0.59) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL6010995 0.84 KCNH2 (0.59) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL6010905 0.84 PTGS1 (0.52) KCNH2CACNA1CSCN5APTGS1SLC6A2

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