SCHEMBL13708607

SCHEMBL13708607

NC(N)=NC(=O)CC1c2cc(C(F)(F)F)ccc2C(=O)N1CCC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.34
SCN9A Q15858 2/20 0.34
BACE1 P56817 2/20 0.33
SLC9A1 P19634 3/20 0.32
SLC9A5 Q14940 1/20 0.31
CNR2 P34972 1/20 0.31
HTR6 P50406 1/20 0.31
KCNH2 Q12809 1/20 0.31
ATM Q13315 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALDH2 P05091 1/20 0.30
ALDH3A1 P30838 1/20 0.30

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
SCHEMBL13708608 0.93 SCN5A (0.34) SCN5ASCN9ABACE1SLC9A1HTR6
SCHEMBL6275044 0.89 BACE1 (0.34) BACE1SLC9A1SLC9A5HTR6ATM
SCHEMBL13079029 0.89 BACE1 (0.34) BACE1SLC9A1SLC9A5HTR6ATM
SCHEMBL13708601 0.87 HTR2B (0.41) SCN5ASCN9ABACE1SLC9A1HTR6
SCHEMBL13708560 0.84 CACNA1B (0.35) BACE1SLC9A1SLC9A5CNR2ALDH1A1
SCHEMBL13708583 0.84 SLC9A1 (0.35) BACE1SLC9A1CNR2HTR6
SCHEMBL4460047 0.82 SCN5A (0.35) SCN5ASCN9ACNR2KCNH2ALDH1A1
SCHEMBL4469069 0.82 SCN5A (0.35) SCN5ASCN9ACNR2KCNH2ALDH1A1
SCHEMBL4460053 0.82 SCN5A (0.35) SCN5ASCN9ACNR2KCNH2ALDH1A1
SCHEMBL13708603 0.82 HTR2B (0.38) SCN5ASCN9ABACE1SLC9A1HTR6

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
US-7589117-B2 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-09-15 US disclosed
US-7589117-B2 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-09-15 US disclosed