SCHEMBL484184

SCHEMBL484184

O=C(NCCCN1C(=O)C2(Cc3c(ccc4c3OCO4)O2)c2ccccc21)c1cc(F)ccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 19/20 0.42
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL281633 0.79 SCN9A (0.57) SCN9A
SCHEMBL281365 0.74 SCN9A (0.57) SCN9A
SCHEMBL3335377 0.73 SCN9A (0.40) SCN9AALDH1A1
SCHEMBL281495 0.73 SCN9A (0.58) SCN9A
SCHEMBL281250 0.72 SCN9A (0.56) SCN9A
SCHEMBL281466 0.70 SCN9A (0.60) SCN9A
SCHEMBL281160 0.69 SCN9A (0.61) SCN9A
SCHEMBL281891 0.69 SCN9A (0.59) SCN9A
SCHEMBL281050 0.66 SCN9A (0.59) SCN9A
SCHEMBL281482 0.66 SCN9A (0.64) SCN9AALDH1A1SMN1; SMN2

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