SCHEMBL16824812

SCHEMBL16824812

FC(F)(F)Oc1ccc(-c2cccc(OCc3c[nH]nn3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
SCN5A Q14524 1/20 0.39
XDH P47989 1/20 0.39
RXRA P19793 3/20 0.38
GRIN1 Q05586 3/20 0.38
GRIN2B Q13224 3/20 0.38
DHODH Q02127 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
PTPN1 P18031 1/20 0.38
SLC6A7 Q99884 1/20 0.38
PPARD Q03181 2/20 0.37
NPY5R Q15761 1/20 0.37
SLC13A5 Q86YT5 1/20 0.37
SOD1 P00441 1/20 0.37

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
SCHEMBL19857039 0.78 SCN5A (0.46) MRGPRX4HDAC1HDAC2SCN5AKCNH2
SCHEMBL16821892 0.77 EPHX2 (0.35) SCN5ARXRAGRIN1GRIN2B
SCHEMBL16824803 0.73 SLC6A7 (0.42) MRGPRX4SCN5ADHODHKCNH2SLC6A7
SCHEMBL23457617 0.72 XDH (0.52) XDHDHODHKCNH2SCN10ANPY5R
SCHEMBL29699351 0.72 XDH (0.52) XDHDHODHKCNH2SCN10ANPY5R
SCHEMBL30757638 0.72 MAOB (0.53) MRGPRX4
SCHEMBL30757640 0.72 MAOB (0.53) MRGPRX4
SCHEMBL30513281 0.72 FFAR1 (0.45) RXRA
SCHEMBL29628993 0.72 SCN5A (0.54) SCN5ASLC13A5
SCHEMBL28850680 0.71 MPO (0.49)

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-3092234-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS Gilead Sciences, Inc. (US) 2016-11-16 EP disclosed
WO-2015094670-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2015-06-25 WO disclosed