SCHEMBL3939936

SCHEMBL3939936

CN(C)c1ccc(CNC(=O)C2c3ccccc3C(=O)N2CC(F)Cc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.52
SCN9A Q15858 13/20 0.49
SCN5A Q14524 8/20 0.49
TDP1 Q9NUW8 1/20 0.49
KCNH2 Q12809 7/20 0.47
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46

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
SCHEMBL3755338 0.87 KCNA5 (0.58) KCNA5SCN9ASCN5ATDP1KCNH2
SCHEMBL3745337 0.86 KCNA5 (0.56) KCNA5SCN9ASCN5ATDP1KCNH2
SCHEMBL3762666 0.86 KCNA5 (0.56) KCNA5SCN9ASCN5ATDP1KCNH2
SCHEMBL3941288 0.83 SCN9A (0.54) KCNA5SCN9ASCN5ATDP1KCNH2
SCHEMBL3758283 0.82 KCNA5 (0.59) KCNA5SCN9ASCN5ATDP1KCNH2
SCHEMBL3747617 0.82 SCN9A (0.53) KCNA5SCN9ASCN5ATDP1KCNH2
SCHEMBL3751702 0.81 KCNA5 (0.69) KCNA5SCN9ASCN5ATDP1KCNH2
SCHEMBL3942460 0.80 SCN9A (0.59) KCNA5SCN9ASCN5AKCNH2PRMT5
SCHEMBL3942929 0.79 TDP1 (0.45) KCNA5SCN9ASCN5ATDP1KCNH2
SCHEMBL3755928 0.79 SCN9A (0.53) KCNA5SCN9ASCN5AKCNH2PRMT5

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-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO disclosed