SCHEMBL4770655

SCHEMBL4770655

N#Cc1cc(=O)n(CCN2CC[CH]CC2)c2cc(F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.41
SCN7A Q01118 2/20 0.36
DRD2 P14416 2/20 0.35
SLC6A4 P31645 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PLK1 P53350 3/20 0.34
DRD3 P35462 1/20 0.34
DPP4 P27487 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 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
SCHEMBL27780802 0.85 KCNH2 (0.43) KCNH2DRD2SLC6A4DPP4HTR2A
Hydrochloric Acid SCHEMBL3840015 0.84 KCNH2 (0.42) KCNH2DRD2SLC6A4DPP4HTR2A
SCHEMBL4302199 0.80 KCNH2 (0.47) KCNH2DRD2DRD3HTR2AHTR2C
SCHEMBL3838931 0.80 KCNH2 (0.34) KCNH2DPP4
SCHEMBL4771515 0.77 ALDH1A1 (0.37) KCNH2SCN7ADRD2SLC6A4SCN5A
SCHEMBL704957 0.76 KCNH2 (0.47) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL4302247 0.75 KCNA3 (0.49) KCNH2DRD2PLK1DPP4
SCHEMBL3839711 0.74 KCNH2 (0.66) KCNH2
SCHEMBL12047110 0.73 KCNH2 (0.51) KCNH2
SCHEMBL4776915 0.72 KCNH2 (0.47) KCNH2

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
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed