SCHEMBL22809676

SCHEMBL22809676

O=Cc1ccc(C(F)(F)F)cc1OCC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 3/20 0.48
SCN10A Q9Y5Y9 2/20 0.48
PTGER1 P34995 1/20 0.42
CSNK1D P48730 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
SRC P12931 1/20 0.41
MGLL Q99685 1/20 0.41
PDE4B Q07343 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
PTGS2 P35354 3/20 0.36
PTGS1 P23219 1/20 0.36
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL22809742 0.84 SCN8A (0.53) SCN8ASCN10APDE4BTSHR
SCHEMBL955834 0.82 SCN8A (0.48) SCN8ASCN10APTGER1CSNK1DPTGDR2
SCHEMBL955835 0.82 SCN8A (0.48) SCN8ASCN10APTGER1CSNK1DPTGDR2
SCHEMBL955295 0.79 SCN8A (0.48) SCN8ASCN10APTGER1CSNK1DPTGDR2
SCHEMBL955296 0.79 SCN8A (0.48) SCN8ASCN10APTGER1CSNK1DPTGDR2
SCHEMBL18570608 0.79 SCN8A (0.50) SCN8ASCN10APTGDR2POLBMAPT
SCHEMBL21722870 0.78 APP (0.46) PTGDR2POLBMAPT
SCHEMBL22809712 0.78 SCN8A (0.47) SCN8ASCN10ACSNK1DPTGDR2MGLL
SCHEMBL20912029 0.78 SRC (0.45) PTGER1PTGDR2SRCPOLB
SCHEMBL18570882 0.77 SCN8A (0.46) SCN8ASCN10APTGDR2MGLLPOLB

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-3239134-B1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2020-12-23 EP disclosed