SCHEMBL27645101

SCHEMBL27645101

FC(F)(F)Oc1ccccc1CC1CCN(c2cccc3scnc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 1/20 0.41
DRD2 P14416 8/20 0.38
HTR1A P08908 4/20 0.38
HTR2A P28223 4/20 0.38
CHRM4 P08173 2/20 0.37
AKT2 P31751 1/20 0.36
EPHX2 P34913 2/20 0.36
C5AR1 P21730 3/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2J2 P51589 1/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
SLC6A3 Q01959 3/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
PDE10A Q9Y233 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33

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
SCHEMBL2095863 0.83 EPHX2 (0.38) DCPSCHRM4AKT2EPHX2C5AR1
SCHEMBL2090842 0.80 EPHX2 (0.34) DCPSDRD2EPHX2CYP2C9CYP2J2
SCHEMBL2094572 0.71 EPHX2 (0.35) EPHX2CYP2C9
SCHEMBL2094569 0.71 C5AR1 (0.35) EPHX2C5AR1CYP2C9
SCHEMBL28758338 0.71 HTR1A (0.43) DRD2HTR1AHTR2A
SCHEMBL2097959 0.71 NPC1 (0.41) DCPSCHRM4EPHX2CYP2C9CYP2J2
SCHEMBL2090670 0.71 KCNN4 (0.43) CHRM4EPHX2
SCHEMBL22668657 0.68 HTR2A (0.48) DRD2HTR1AHTR2A
SCHEMBL2094719 0.67 DCPS (0.39) DCPSDRD2HTR1AHTR2ACHRM4
SCHEMBL5016085 0.67 EPHX2 (0.44) DCPSDRD2EPHX2DRD4DRD3

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