SCHEMBL5538952

SCHEMBL5538952

O=C(O)N1CCN(C[C@@H]2Cn3cc([N+](=O)[O-])nc3O2)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 2/20 0.32
KCNH2 Q12809 4/20 0.31
USP2 O75604 1/20 0.31
KMT2A Q03164 1/20 0.31
HIF1A Q16665 1/20 0.31
MAPK9 P45984 1/20 0.31
HTR1A P08908 1/20 0.30

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
SCHEMBL5538961 1.00 CHRM1 (0.35) CHRM1LMNAALDH1A1KCNH2USP2
SCHEMBL5540324 1.00 CHRM1 (0.35) CHRM1LMNAALDH1A1KCNH2USP2
SCHEMBL6010853 0.85 ALDH1A1 (0.41) CHRM1LMNAALDH1A1KCNH2
SCHEMBL5535946 0.85 ALDH1A1 (0.41) CHRM1LMNAALDH1A1KCNH2
SCHEMBL6010762 0.85 ALDH1A1 (0.41) CHRM1LMNAALDH1A1KCNH2
SCHEMBL6010863 0.84 CHRM1 (0.33) CHRM1KCNH2
SCHEMBL6010771 0.84 CHRM1 (0.33) CHRM1KCNH2
SCHEMBL6010766 0.84 CHRM1 (0.33) CHRM1KCNH2
SCHEMBL14966228 0.80 KCNH2 (0.37) CHRM1LMNAALDH1A1KCNH2KMT2A
SCHEMBL5548049 0.79 SIGMAR1 (0.39) CHRM1ALDH1A1HTR1A

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