SCHEMBL7906367

SCHEMBL7906367

CCCC(CCC)c1nnc2c(=O)[nH]c3cc(C(=O)N4CCc5cc(F)c(Cl)cc54)c(C)cc3n12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
CYP11B2 P19099 1/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
SCN9A Q15858 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
SCHEMBL7906787 0.97 GRIN2D (0.36) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL7907819 0.84 GRIN2D (0.31) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL1721732 0.82 PDE9A (0.40) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL7908900 0.82 PDE9A (0.35) CYP11B2SCN9A
SCHEMBL12044760 0.80 PDE9A (0.34)
SCHEMBL7909964 0.79 PDE9A (0.32)
SCHEMBL7909054 0.79 PDE9A (0.40) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL1721608 0.77 PDE9A (0.34)
SCHEMBL7899049 0.77
SCHEMBL1721605 0.76 AVPR2 (0.40) SCN9A

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