SCHEMBL10187113

SCHEMBL10187113

CCCc1nnc2c(=O)[nH]c3cc(C(=O)N(CCO)Cc4ccccc4CC)ccc3n12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIA1 P42261 1/20 0.47
GRIA2 P42262 1/20 0.47
GRIA3 P42263 1/20 0.47
GRIA4 P48058 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
RXFP1 Q9HBX9 2/20 0.40
KDM4E B2RXH2 10/20 0.39
ALDH1A1 P00352 7/20 0.39
HPGD P15428 5/20 0.39
HSD17B10 Q99714 4/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL7898918 0.91 GRIN2D (0.48) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL7908241 0.86 GRIN2D (0.46) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL7904385 0.84 GRIN2D (0.52) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL12044422 0.84 GRIN2D (0.57) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL7907679 0.83 GRIN2D (0.47) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL7905039 0.82 GRIN2D (0.50) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL14826760 0.82 GRIN2D (0.46) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL7905764 0.82 GRIN2D (0.46) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL7906359 0.80 BRPF1 (0.52) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL1722297 0.77 GRIN2D (0.62) 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
EP-2404922-A1 QUINOXALINE COMPOUNDS Astellas Pharma Inc. (JP) 2012-01-11 EP disclosed