SCHEMBL6003155

SCHEMBL6003155

[CH2]COCCc1ccccc1OC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.43
DRD2 P14416 4/20 0.43
SLC6A2 P23975 7/20 0.40
GRIN2B Q13224 2/20 0.38
GRIN1 Q05586 1/20 0.38
SLC6A4 P31645 6/20 0.37
KCNH2 Q12809 4/20 0.37
CYP2D6 P10635 3/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TACR1 P25103 1/20 0.34
EPHX2 P34913 1/20 0.34
SCN9A Q15858 1/20 0.34
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
KCNN3 Q9UGI6 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 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
SCHEMBL2091566 0.83 SLC6A3 (0.45) SLC6A3DRD2SLC6A2GRIN2BGRIN1
SCHEMBL2094057 0.83 GRIN2B (0.40) SLC6A3DRD2SLC6A2GRIN2BGRIN1
SCHEMBL2090839 0.82 SLC6A3 (0.47) SLC6A3DRD2SLC6A2GRIN2BGRIN1
SCHEMBL2091568 0.81 SLC6A3 (0.49) SLC6A3DRD2SLC6A2GRIN2BGRIN1
SCHEMBL17288587 0.79 SLC6A3 (0.45) SLC6A3DRD2SLC6A2GRIN2BGRIN1
SCHEMBL1047281 0.78 GRIN2B (0.43) SLC6A3DRD2SLC6A2GRIN2BGRIN1
SCHEMBL2097493 0.75 SLC6A3 (0.42) SLC6A3DRD2SLC6A2GRIN2BGRIN1
SCHEMBL2097495 0.75 SLC6A3 (0.42) SLC6A3DRD2SLC6A2GRIN2BGRIN1
SCHEMBL23881813 0.75 SLC6A3 (0.48) SLC6A3DRD2SLC6A2GRIN2BGRIN1
SCHEMBL2094830 0.75 SLC6A3 (0.47) SLC6A3DRD2SLC6A2GRIN2BGRIN1

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
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed