SCHEMBL4557349

SCHEMBL4557349

CCCCCN1C(=O)C(c2ccc(O)c(C(F)(F)F)c2)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.60
CDC25A P30304 2/20 0.47
CNR2 P34972 7/20 0.44
CNR1 P21554 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
S1PR1 P21453 1/20 0.39
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH2 P05091 1/20 0.37
ALDH3A1 P30838 1/20 0.37
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
PLG P00747 1/20 0.37
PRSS1 P07477 1/20 0.37
CES1 P23141 2/20 0.36
CYP19A1 P11511 1/20 0.35

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 0.82 SCN9A (0.51) SCN9ACDC25ACNR2CNR1ALDH1A1
SCHEMBL281914 0.78 SCN9A (0.53) SCN9ACDC25ACNR2CNR1ALDH1A1
SCHEMBL281689 0.78 SCN9A (0.55) SCN9ACDC25ACNR2CNR1ALDH1A1
SCHEMBL281760 0.76 SCN9A (0.53) SCN9ACDC25ACNR2CNR1ALDH1A1
SCHEMBL281890 0.76 SCN9A (0.55) SCN9ACDC25ACNR2CNR1ALDH1A1
SCHEMBL281597 0.75 SCN9A (1.00) SCN9ACDC25ACNR2CNR1ALDH1A1
SCHEMBL281609 0.75 SCN9A (0.54) SCN9ACDC25ACNR2CNR1ALDH1A1
SCHEMBL281975 0.74 CDC25A (0.52) SCN9ACDC25ACNR2CNR1ALDH1A1
SCHEMBL281803 0.74 CDC25A (0.52) SCN9ACDC25ACNR2CNR1ALDH1A1
SCHEMBL281751 0.73 SCN9A (0.53) SCN9ACDC25ACNR2CNR1ALDH1A1

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-2073806-A2 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2009-07-01 EP disclosed
WO-2008060789-A2 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-05-22 WO disclosed