SCHEMBL3247747

SCHEMBL3247747

Clc1ncnc(N2CCC(OCc3ccccc3)CC2)n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 17/20 0.54
KCNH2 Q12809 2/20 0.46
TMEM97 Q5BJF2 1/20 0.44
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
PRMT8 Q9NR22 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
SCN5A Q14524 2/20 0.42
SCN4A P35499 1/20 0.41
SCN3A Q9NY46 1/20 0.41
RPS6KB1 P23443 1/20 0.41

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
SCHEMBL2355986 0.83 SCN9A (0.58) SCN9AKCNH2CARM1PRMT6SCN5A
SCHEMBL3123488 0.74 SCN9A (0.83) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL5596677 0.73 CARM1 (0.45) SCN9ATMEM97CARM1PRMT6SIGMAR1
SCHEMBL2881173 0.73 SCN9A (0.44) SCN9AKCNH2TMEM97CARM1PRMT6
SCHEMBL16652580 0.73 KIT (0.58)
SCHEMBL3240908 0.71 SCN9A (1.00) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL29563196 0.71 CARM1 (0.48) SCN9ATMEM97CARM1PRMT6SIGMAR1
SCHEMBL27158553 0.71 NPC1 (0.59) KCNH2TMEM97CARM1PRMT6SIGMAR1
SCHEMBL8551647 0.70 SIGMAR1 (0.64) TMEM97CARM1PRMT6SIGMAR1PRMT8
Hydrochloric Acid SCHEMBL8555397 0.69 SIGMAR1 (0.62) TMEM97CARM1PRMT6SIGMAR1PRMT8

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