SCHEMBL4864030

SCHEMBL4864030

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

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 16/20 0.64
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.38
CNR1 P21554 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL281809 0.83 SCN9A (0.55) SCN9AMEN1KMT2ATP53ALDH1A1
SCHEMBL281621 0.80 SCN9A (0.57) SCN9AMEN1KMT2AALDH1A1RAB9A
SCHEMBL281931 0.79 SCN9A (0.58) SCN9AMEN1KMT2ATP53ALDH1A1
SCHEMBL4597294 0.78 SCN9A (1.00) SCN9A
SCHEMBL281749 0.78 SCN9A (0.57) SCN9AMEN1KMT2ATP53ALDH1A1
SCHEMBL281538 0.76 SCN9A (0.58) SCN9AMEN1KMT2AALDH1A1RAB9A
SCHEMBL281834 0.76 SCN9A (0.57) SCN9AMEN1KMT2ATP53ALDH1A1
SCHEMBL281613 0.75 SCN9A (0.55) SCN9AMEN1KMT2ATP53ALDH1A1
SCHEMBL282033 0.75 SCN9A (0.55) SCN9AMEN1KMT2AALDH1A1RAB9A
SCHEMBL283963 0.74 SCN9A (0.57) SCN9AMEN1KMT2ATP53ALDH1A1

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-1888595-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-02-20 EP disclosed
WO-2006110917-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-10-19 WO disclosed