SCHEMBL15536664

SCHEMBL15536664

Fc1cc(COC2CCCCC2)c(Cl)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.54
KDM1A O60341 4/20 0.41
KDM1B Q8NB78 3/20 0.41
NAAA Q02083 1/20 0.35
HTR1A P08908 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
DPP4 P27487 1/20 0.31
KCNH2 Q12809 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL16387298 0.75 SCN9A (0.55) SCN9AKDM1AKDM1BKCNH2
SCHEMBL31207397 0.74 FFAR4 (0.40) SCN9AKDM1AKDM1B
SCHEMBL21779370 0.74 DPP4 (0.45) SCN9ANAAAHTR1AKDM4EL3MBTL1
SCHEMBL31207461 0.73 ACACB (0.36) SCN9AKDM1AKDM1B
SCHEMBL30198976 0.73 CXCR3 (0.49) SCN9ANAAAKDM4EL3MBTL1DRD4
SCHEMBL16448706 0.72 SCN9A (0.64) SCN9ANPC1RAB9ASMN1; SMN2
SCHEMBL27494486 0.72 KDM4E (0.37) SCN9AKDM4EL3MBTL1ALDH1A1
SCHEMBL21779364 0.71 DRD4 (0.44) KDM4EDRD4DRD3SIGMAR1KCNH2
SCHEMBL18615735 0.71 NAAA (0.59) SCN9AKDM1AKDM1BNAAAHTR1A
SCHEMBL16448571 0.71 SCN9A (1.00) SCN9A

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