SCHEMBL2301748

SCHEMBL2301748

FC(F)(F)COc1cccc2c1CC[N]C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.36
ABHD6 Q9BV23 2/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
G6PD P11413 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CACNA1H O95180 2/20 0.32

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
SCHEMBL2299356 0.80 CCR3 (0.33) SCN9AABHD6KDM4E
SCHEMBL15335809 0.78 RXRA (0.49) KDM4EMEN1USP2ALDH1A1HSP90AA1
SCHEMBL2298646 0.77 TIPARP (0.41) SCN9AALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL2299447 0.74 DRD2 (0.49) ADRA2A
SCHEMBL3122879 0.74 NOTUM (0.36) ALDH1A1L3MBTL1
SCHEMBL3250725 0.74 NPC1 (0.32) ALDH1A1MAPT
SCHEMBL14961675 0.73 CD44 (0.47) PRMT5SLC6A2SLC6A4
SCHEMBL2358834 0.69 GPR3 (0.38) SCN9AKDM4EALDH1A1MAPTALOX15
SCHEMBL586140 0.69 DRD2 (0.44) ADRA2A
SCHEMBL30117138 0.68 SCN9A (0.33) SCN9AKDM4EMEN1USP2ALDH1A1

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-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO disclosed