SCHEMBL2302138

SCHEMBL2302138

Fc1ccc(OC2CC[N]CC2)cc1OC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.41
EPHX2 P34913 5/20 0.37
KDR P35968 4/20 0.35
BRAF P15056 2/20 0.35
KCNN4 O15554 2/20 0.34
TRPA1 O75762 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
PDK2 Q15119 2/20 0.33
BTK Q06187 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2J2 P51589 1/20 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
SCHEMBL2300932 0.89 SCN9A (0.42) SCN9AEPHX2PTGS1PTGS2
SCHEMBL2301156 0.84 SCN9A (0.42) SCN9AEPHX2KDRBRAFFFAR4
SCHEMBL2302295 0.83 HTR1A (0.47) SCN9A
SCHEMBL3125948 0.80 PTGS1 (0.41) PTGS1PTGS2FFAR4
SCHEMBL2298969 0.80 EPHX2 (0.45) EPHX2
SCHEMBL26933404 0.78 SCN9A (0.36) SCN9AEPHX2KDRBRAFKCNN4
SCHEMBL26933399 0.78 SCN9A (0.36) SCN9AEPHX2KDRBRAFKCNN4
SCHEMBL2296998 0.78 MGLL (0.44) SCN9AEPHX2
Hydrochloric Acid SCHEMBL30636264 0.77 SCN9A (0.35) SCN9AEPHX2KDRBRAFKCNN4
SCHEMBL3123082 0.76 SLC6A2 (0.42) SCN9APTGS1PTGS2

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 3 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
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed