SCHEMBL7899487

SCHEMBL7899487

C=C(c1ccc2c(c1)[nH]c(=O)c1nnc(CCC)n12)N1CCc2cccc(C(F)(F)F)c2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
GRIA4 P48058 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
PHGDH O43175 1/20 0.36
P2RX7 Q99572 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SCN9A Q15858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DRD2 P14416 1/20 0.32
C5AR1 P21730 1/20 0.31
PARP1 P09874 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
SCHEMBL12044506 0.92 GRIN2D (0.42) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL7907327 0.86 GRIN2D (0.42) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL1723437 0.78 SMN1; SMN2 (0.53) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL7898104 0.77 GRIN2D (0.44) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL7899483 0.76 GRIN2D (0.44) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL7909018 0.75 GRIN2D (0.51) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL7906746 0.74 GRIN2D (0.53) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL7905781 0.73 GRIN2D (0.46) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL7899490 0.72 MAPK1 (0.52) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL7899480 0.72 GRIN2D (0.50) GRIN2DGRIN3BGRIA1GRIA2GRIA3

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-2010101230-A1 QUINOXALINE COMPOUNDS アステラス製薬株式会社 (JP) 2010-09-10 WO disclosed