SCHEMBL4035360

SCHEMBL4035360

CCC(C)(c1ccc(F)cc1)N1C(=O)c2ccccc2C1C(=O)NCCCC(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 12/20 0.54
KCNH2 Q12809 3/20 0.42
P2RX7 Q99572 2/20 0.40
SCN5A Q14524 2/20 0.40
SCN9A Q15858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL3758538 0.91 KCNA5 (0.58) KCNA5KCNH2P2RX7SCN5ASCN9A
SCHEMBL3749985 0.83 KCNA5 (0.50) KCNA5KCNH2P2RX7SCN5ASCN9A
SCHEMBL3754011 0.82 KCNA5 (0.61) KCNA5KCNH2P2RX7SCN5ASCN9A
SCHEMBL3749946 0.76 KCNA5 (0.61) KCNA5KCNH2P2RX7SCN5ASCN9A
SCHEMBL3758582 0.75 KCNA5 (0.54) KCNA5KCNH2P2RX7SCN5ASCN9A
SCHEMBL3752028 0.73 SCN9A (0.52) KCNA5KCNH2P2RX7SCN5ASCN9A
SCHEMBL3753076 0.72 KCNA5 (0.67) KCNA5KCNH2P2RX7SCN5ASCN9A
SCHEMBL3745433 0.72 KCNA5 (0.53) KCNA5KCNH2P2RX7SCN5ASCN9A
SCHEMBL3755150 0.71 KCNA5 (0.53) KCNA5KCNH2P2RX7SCN5ASCN9A
SCHEMBL3762919 0.69 KCNA5 (0.65) KCNA5KCNH2SCN5ASCN9AALDH1A1

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