SCHEMBL5333392

SCHEMBL5333392

Fc1cc(F)c2cn(CCC#Cc3ccccn3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.43
KCNH2 Q12809 2/20 0.32
NPC1 O15118 1/20 0.31
HCRTR1 O43613 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.31
PTPN7 P35236 1/20 0.31
DUSP3 P51452 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR4 P22455 1/20 0.31
FGFR3 P22607 1/20 0.31
KDR P35968 1/20 0.31
FLT3 P36888 1/20 0.31

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
SCHEMBL102760 0.78 GRM5 (0.44) GRM5KCNH2
SCHEMBL101285 0.77 GRM5 (0.46) GRM5KCNH2FGFR1FGFR2FGFR4
SCHEMBL102652 0.77 GRM5 (0.38) GRM5KCNH2NPC1HCRTR1RAB9A
SCHEMBL104787 0.74 GRM5 (0.44) GRM5KCNH2NPC1HCRTR1RAB9A
SCHEMBL103114 0.74 GRM5 (0.46) GRM5KCNH2FGFR1FGFR2FGFR4
SCHEMBL4203163 0.70 GRM5 (0.47) GRM5KCNH2
SCHEMBL102453 0.70 GRM5 (0.47) GRM5HCRTR1FGFR1FGFR2FGFR4
SCHEMBL103825 0.69 GRM5 (0.44) GRM5KCNH2
SCHEMBL102822 0.69 GRM5 (0.43) GRM5KCNH2FGFR1FGFR2FGFR4
SCHEMBL398327 0.69 EPHB4 (0.43) GRM5KDR

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-1765795-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2007-03-28 EP claimed
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 WO claimed