SCHEMBL4608322

SCHEMBL4608322

CCCCCN1C(=O)C(c2cc(C(F)(F)F)ccc2O)c2c(CO)cccc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
CDC25A P30304 1/20 0.37
HTR7 P34969 2/20 0.37
CNR2 P34972 6/20 0.35
CNR1 P21554 1/20 0.35
PGR P06401 2/20 0.34
RORA P35398 1/20 0.34
RORC P51449 1/20 0.34
RORB Q92753 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TLR8 Q9NR97 1/20 0.34
CCKBR P32239 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PLG P00747 1/20 0.33
PRSS1 P07477 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
SCHEMBL281770 0.84 SCN9A (0.51) SCN9ACDC25AHTR7CNR2CNR1
SCHEMBL281914 0.70 SCN9A (0.53) SCN9ACDC25ACNR2CNR1MEN1
SCHEMBL4557349 0.69 SCN9A (0.60) SCN9ACDC25ACNR2CNR1MEN1
SCHEMBL281923 0.69 SCN9A (0.57) SCN9ACDC25AMEN1ALDH1A1KMT2A
SCHEMBL281760 0.68 SCN9A (0.53) SCN9ACDC25ACNR2CNR1MEN1
SCHEMBL16684342 0.68 FPR2 (0.35) HTR7CNR2CNR1MEN1ALDH1A1
SCHEMBL281689 0.68 SCN9A (0.55) SCN9ACDC25ACNR2CNR1MEN1
SCHEMBL281809 0.66 SCN9A (0.55) SCN9AMEN1ALDH1A1KMT2A
SCHEMBL484063 0.66 SCN9A (0.40) SCN9ACDC25ACNR2CNR1MEN1
SCHEMBL281890 0.66 SCN9A (0.55) SCN9ACDC25ACNR2CNR1MEN1

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-1877378-A2 OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-01-16 EP claimed
WO-2006113864-A2 OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-10-26 WO claimed