SCHEMBL8236599

SCHEMBL8236599

CC(C)(C)CN1CCC(Oc2cc(F)nc3c(CF)cccc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
SCN1A P35498 4/20 0.35
SCN8A Q9UQD0 4/20 0.35
MCHR1 Q99705 1/20 0.33
PARP1 P09874 2/20 0.33
CACNB4 O00305 1/20 0.33
CACNA1A O00555 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNG3 O60359 1/20 0.33
CACNA1F O60840 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNB3 P54284 1/20 0.33
CACNA2D1 P54289 1/20 0.33
CACNG7 P62955 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNA1D Q01668 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
SCHEMBL8231334 0.88 MAPK14 (0.35) SCN1ASCN8AMCHR1PDE4BMEN1
SCHEMBL5530548 0.88 SCN1A (0.39) POLBL3MBTL1TLR9TLR8TLR7
SCHEMBL5532059 0.87 SCN1A (0.39) POLBL3MBTL1SCN1ASCN8A
SCHEMBL8236222 0.86 HRH3 (0.39) TLR9TLR8TLR7SCN1ASCN8A
SCHEMBL8235976 0.85 OPRK1 (0.40) TLR9TLR8TLR7PARP1DRD2
SCHEMBL8238856 0.83 AR (0.38) POLBL3MBTL1
SCHEMBL8238217 0.83 HRH3 (0.38)
SCHEMBL8238215 0.83 HRH3 (0.39)
SCHEMBL8238556 0.83 OPRK1 (0.37) TLR9TLR8TLR7SCN1ASCN8A
SCHEMBL8236186 0.79 SCN8A (0.46) SCN1ASCN8A

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-2007071055-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2007-06-28 WO disclosed