SCHEMBL27644580

SCHEMBL27644580

FC(F)(F)Oc1ccc(CCCC2CCN(c3cccc4s[c]nc34)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.39
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
CHRM4 P08173 10/20 0.36
CHRM2 P08172 2/20 0.35
TEAD1 P28347 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
CHRM3 P20309 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL27645221 0.97 GRM2 (0.38) GRM2DRD2DRD4DRD3CHRM4
SCHEMBL27645173 0.96 GRM2 (0.38) GRM2DRD2DRD4DRD3CHRM4
SCHEMBL27666088 0.96 GRM2 (0.38) GRM2DRD2DRD4DRD3CHRM4
SCHEMBL27666084 0.94 GRM2 (0.40) GRM2DRD2DRD4DRD3CHRM4
SCHEMBL27665936 0.86 HRH3 (0.46) GRM2DRD2
SCHEMBL27666169 0.85 HRH3 (0.47) GRM2DRD2DRD3
SCHEMBL27645120 0.84 HRH3 (0.47) GRM2DRD2
SCHEMBL27645136 0.84 HRH3 (0.47) GRM2DRD2
SCHEMBL28761481 0.83 HRH3 (0.43) ACHE
SCHEMBL2097825 0.82 GRM2 (0.36) GRM2DRD2DRD4DRD3CHRM4

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