SCHEMBL14320189

SCHEMBL14320189

O=c1ccc2ccc(F)cc2n1CCN1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN7A Q01118 2/20 0.51
HTR7 P34969 1/20 0.50
SCN5A Q14524 1/20 0.48
SCN2A Q99250 1/20 0.48
SCN8A Q9UQD0 1/20 0.48
PLK1 P53350 1/20 0.44
POLB P06746 1/20 0.44
GRIN1 Q05586 4/20 0.43
GRIN2B Q13224 4/20 0.43
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
OPRK1 P41145 2/20 0.42
SLC6A3 Q01959 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
MCHR1 Q99705 1/20 0.40

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
SCHEMBL18117312 0.99 SCN7A (0.53) SCN7AHTR7SCN5ASCN2ASCN8A
SCHEMBL706822 0.85 KCNH2 (0.43) SCN7AHTR7DRD2
Hydrochloric Acid SCHEMBL3870194 0.84 KCNH2 (0.43) SCN7AHTR7DRD2
SCHEMBL4294672 0.82 HTR7 (0.38) SCN7AHTR7SCN5ASCN2ASCN8A
SCHEMBL921593 0.79 CNR2 (0.46) MCHR1
SCHEMBL31033172 0.79 SCN7A (0.56) SCN7ASCN5ASCN2ASCN8A
SCHEMBL3861905 0.79 BPTF (0.41) HTR7GRIN1GRIN2BDRD2MCHR1
SCHEMBL30448661 0.78 HDAC1 (0.43) PLK1
SCHEMBL28779597 0.78 HDAC1 (0.43) HTR7PLK1DRD2
SCHEMBL14020817 0.78 KCNH2 (0.58) GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO disclosed