SCHEMBL328253

SCHEMBL328253

O=C(NCCc1ccc(Cl)cc1)c1ccccc1CN1C(=O)C2(COc3cc(O)c(O)cc32)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.44
TNKS O95271 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
SLC6A5 Q9Y345 2/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 1/20 0.41
SCN7A Q01118 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN8A Q9UQD0 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL281290 0.92 SCN9A (0.50) SCN9ATNKSTNKS2SLC6A5KMT2A
SCHEMBL3330600 0.89 SCN9A (0.43) SCN9ATNKSTNKS2SLC6A5KMT2A
SCHEMBL281086 0.85 SCN9A (0.52) SCN9ALMNASCN7ASCN5ASCN2A
SCHEMBL281176 0.85 NPC1 (0.52) SCN9ASLC6A5KMT2ANPC1RAB9A
SCHEMBL280900 0.84 SCN9A (0.52) SCN9ASLC6A5KMT2ANPC1RAB9A
SCHEMBL280788 0.84 SCN9A (0.52) SCN9ASLC6A5NPC1RAB9AMAPT
SCHEMBL281091 0.83 NPC1 (0.56) SCN9AKMT2ANPC1RAB9AMAPT
SCHEMBL280818 0.82 RAB9A (0.51) SCN9ASLC6A5NPC1RAB9AMAPT
SCHEMBL328305 0.81 SCN9A (0.50) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL10289089 0.81 NPC1 (0.49) SCN9AKMT2ANPC1RAB9AMAPT

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-2428515-A1 Spiro-oxindole compounds and their uses as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2012-03-14 EP disclosed
EP-1888595-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2012-02-01 EP disclosed