SCHEMBL27645136

SCHEMBL27645136

FC(F)(F)Oc1ccc(CCCCCN2CCN(c3cccc4s[c]nc34)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.47
HRH1 P35367 5/20 0.47
KCNH2 Q12809 4/20 0.47
ADRA1A P35348 3/20 0.47
ADRA1B P35368 3/20 0.47
GRM2 Q14416 1/20 0.45
DRD2 P14416 4/20 0.41
HTR2A P28223 4/20 0.41
HTR7 P34969 2/20 0.41
HTR6 P50406 2/20 0.41
SIGMAR1 Q99720 1/20 0.40
HTR1A P08908 3/20 0.40
SLC6A4 P31645 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
SCHEMBL27645120 1.00 HRH3 (0.47) HRH3HRH1KCNH2ADRA1AADRA1B
SCHEMBL27666169 0.99 HRH3 (0.47) HRH3HRH1KCNH2ADRA1AADRA1B
SCHEMBL27665936 0.96 HRH3 (0.46) HRH3HRH1KCNH2ADRA1AADRA1B
SCHEMBL28761481 0.92 HRH3 (0.43) HRH3HRH1KCNH2ADRA1AADRA1B
SCHEMBL27666088 0.86 GRM2 (0.38) GRM2DRD2
SCHEMBL27645173 0.86 GRM2 (0.38) GRM2DRD2
SCHEMBL27645221 0.85 GRM2 (0.38) GRM2DRD2
SCHEMBL27644580 0.84 GRM2 (0.39) GRM2DRD2
SCHEMBL5011646 0.83 HRH1 (0.48) HRH3HRH1KCNH2ADRA1AADRA1B
SCHEMBL5013338 0.83 HRH1 (0.48) HRH3HRH1KCNH2ADRA1AADRA1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN disclosed