SCHEMBL4154462

SCHEMBL4154462

CC(CCN1C(=O)c2ccccc2C1C(=O)NCc1ccccc1C(F)(F)F)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.61
TDP1 Q9NUW8 1/20 0.51
KCNA5 P22460 6/20 0.48
SCN9A Q15858 8/20 0.47
SCN5A Q14524 5/20 0.47
KCNH2 Q12809 6/20 0.47
KMT2A Q03164 1/20 0.45

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
SCHEMBL3750088 0.91 P2RX7 (0.62) P2RX7TDP1KCNA5SCN9ASCN5A
SCHEMBL3940692 0.86 P2RX7 (0.57) P2RX7TDP1KCNA5KCNH2KMT2A
SCHEMBL3942624 0.85 KCNA5 (0.67) TDP1KCNA5SCN9ASCN5AKCNH2
SCHEMBL3756940 0.84 KCNA5 (0.70) P2RX7TDP1KCNA5SCN9ASCN5A
SCHEMBL3751973 0.84 P2RX7 (0.63) P2RX7KCNA5SCN9ASCN5AKCNH2
SCHEMBL3746039 0.82 P2RX7 (0.61) P2RX7KCNA5SCN9ASCN5AKCNH2
SCHEMBL3750633 0.82 P2RX7 (0.66) P2RX7TDP1KCNA5SCN9ASCN5A
SCHEMBL3746181 0.81 P2RX7 (0.58) P2RX7KCNA5SCN9ASCN5AKCNH2
SCHEMBL3750747 0.80 P2RX7 (0.58) P2RX7KCNA5SCN9ASCN5AKCNH2
SCHEMBL3756360 0.80 KCNA5 (0.68) P2RX7KCNA5SCN9ASCN5AKCNH2

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 4 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
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