SCHEMBL15536853

SCHEMBL15536853

O=C(O)c1cc(Cl)c(COC2CCCCC2)cc1F

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 15/20 0.68
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
EPHX2 P34913 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL16448706 0.83 SCN9A (0.64) SCN9ANPC1RAB9ASMN1; SMN2
SCHEMBL16448571 0.81 SCN9A (1.00) SCN9A
SCHEMBL16448572 0.81 SCN9A (1.00) SCN9A
SCHEMBL15536949 0.78 SCN9A (1.00) SCN9A
SCHEMBL15536664 0.78 SCN9A (0.54) SCN9ANPC1RAB9ASMN1; SMN2
SCHEMBL31207479 0.77 SCN9A (0.45) SCN9AMRGPRX4
SCHEMBL31207449 0.76 SCN9A (0.43) SCN9A
SCHEMBL3981224 0.75 TSHR (0.45) SCN9ASMN1; SMN2MRGPRX4
SCHEMBL15543742 0.72 KEAP1 (0.42) SCN9ASMN1; SMN2MRGPRX4
SCHEMBL15555174 0.71 SCN9A (0.40) SCN9AEPHX2MRGPRX4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855428-A1 N-SUBSTITUTED BENZAMIDES AND THEIR USE IN THE TREATMENT OF PAIN Genentech, Inc. (US) 2015-04-08 EP disclosed
US-8952169-B2 N-substituted benzamides and methods of use thereof XENON PHARMACEUTICALS INC. (CA) 2015-02-10 US disclosed
US-8952169-B2 N-substituted benzamides and methods of use thereof XENON PHARMACEUTICALS INC. (CA) 2015-02-10 US disclosed
WO-2013177224-A1 N-SUBSTITUTED BENZAMIDES AND THEIR USE IN THE TREATMENT OF PAIN GENENTECH, INC. (US) 2013-11-28 WO disclosed