SCHEMBL6922034

SCHEMBL6922034

O=c1c(CC2CCC2)cnc2cc(-c3cccc(F)c3)ccn12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.44
FLT3 P36888 2/20 0.42
GRIN2B Q13224 8/20 0.41
KDR P35968 5/20 0.39
FGFR3 P22607 3/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
PDE1C Q14123 1/20 0.36
GRIN1 Q05586 3/20 0.35
IL4I1 Q96RQ9 1/20 0.35

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
SCHEMBL6920438 0.96 GRM2 (0.46) GRM2FLT3GRIN2BKDRFGFR3
SCHEMBL15865814 0.84 GRM5 (0.48)
SCHEMBL12059189 0.82 FLT3 (0.45) GRM2FLT3GRIN2BKDRFGFR3
SCHEMBL6922507 0.80 FLT3 (0.43) GRM2FLT3GRIN2BKDRFGFR3
SCHEMBL6921936 0.80 FLT3 (0.44) GRM2FLT3GRIN2BKDRFGFR3
SCHEMBL6922604 0.80 FLT3 (0.43) GRM2FLT3GRIN2BKDRFGFR3
SCHEMBL15865813 0.80 GRM5 (0.45)
SCHEMBL6922510 0.80 KDR (0.48) GRM2FLT3GRIN2BKDRFGFR3
SCHEMBL6922096 0.79 FLT3 (0.44) GRM2FLT3GRIN2BKDRFGFR3
SCHEMBL6920749 0.77 FLT3 (0.42) GRM2FLT3GRIN2BKDRFGFR3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011075699-A2 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-06-23 WO disclosed