SCHEMBL484055

SCHEMBL484055

O=C(NCCN1C(=O)C2(COc3cc4c(cc32)OCO4)c2ccccc21)Nc1ccccc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.58
SCN7A Q01118 1/20 0.49
SCN5A Q14524 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN8A Q9UQD0 1/20 0.49
SCN10A Q9Y5Y9 1/20 0.49
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CFD P00746 1/20 0.41
DDX3X O00571 1/20 0.41

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
SCHEMBL484190 0.93 SCN9A (0.56) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281715 0.90 SCN9A (0.62) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281531 0.89 SCN9A (0.57) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281260 0.89 SCN9A (0.61) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL484201 0.89 SCN9A (0.58) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281607 0.89 SCN9A (0.58) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281409 0.87 SCN9A (0.57) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281363 0.87 SCN9A (0.57) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL484188 0.87 SCN9A (0.57) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL484178 0.87 SCN9A (0.56) SCN9ASCN7ASCN5ASCN2ASCN8A

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-1888595-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2012-02-01 EP claimed