SCHEMBL3949592

SCHEMBL3949592

O=C(NCc1ccccc1)C1c2cc(Br)ccc2C(=O)N1CCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.56
SCN5A Q14524 10/20 0.56
KCNH2 Q12809 9/20 0.56
TDP1 Q9NUW8 1/20 0.46
KCNA5 P22460 3/20 0.45
ALDH1A1 P00352 2/20 0.43
KCNQ2 O43526 1/20 0.43
SCN2A Q99250 1/20 0.43

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
SCHEMBL3754444 0.87 KCNA5 (0.53) SCN9ASCN5AKCNH2TDP1KCNA5
SCHEMBL3950604 0.87 SCN9A (0.59) SCN9ASCN5AKCNH2TDP1KCNA5
SCHEMBL3751057 0.80 SCN9A (0.66) SCN9ASCN5AKCNH2TDP1KCNA5
SCHEMBL3745741 0.79 SCN9A (0.55) SCN9ASCN5AKCNH2KCNA5KCNQ2
SCHEMBL3941288 0.79 SCN9A (0.54) SCN9ASCN5AKCNH2TDP1KCNA5
SCHEMBL3750552 0.77 SCN9A (0.59) SCN9ASCN5AKCNH2TDP1ALDH1A1
SCHEMBL3755840 0.76 KCNA5 (0.77) SCN9ASCN5AKCNH2TDP1KCNA5
SCHEMBL3756454 0.76 P2RX7 (0.57) SCN9ASCN5AKCNH2TDP1KCNA5
SCHEMBL3750116 0.76 SCN9A (0.52) SCN9ASCN5AKCNH2KCNA5KCNQ2
SCHEMBL3747617 0.76 SCN9A (0.53) SCN9ASCN5AKCNH2TDP1KCNA5

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 claimed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO claimed