SCHEMBL6904352

SCHEMBL6904352

CCCc1cc2[nH]c(=O)[nH]c2cc1CCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.52
GRIN3B O60391 2/20 0.52
GRIN1 Q05586 2/20 0.52
GRIN2A Q12879 2/20 0.52
GRIN2B Q13224 2/20 0.52
GRIN2C Q14957 2/20 0.52
GRIN3A Q8TCU5 2/20 0.52
HCAR2 Q8TDS4 3/20 0.46
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GPR84 Q9NQS5 1/20 0.40
HTT P42858 1/20 0.40
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
GRIA4 P48058 1/20 0.40
TYMP P19971 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL28026518 0.83 GRIN2D (0.73) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3223630 0.77 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5393113 0.75 GAA (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5388796 0.72 DAO (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20365836 0.71 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6395197 0.71 KDM4E (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9487271 0.71 HMGCR (0.42) HCAR2ALDH1A1HTTMPOTPO
SCHEMBL7025030 0.70 HCAR2 (0.48) HCAR2ALDH1A1TYMPKDM4EHPGD
SCHEMBL11100579 0.70 GRIA1 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11792898 0.69 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-2004039409-A2 COMPOSITION COMPRISING ACTIVATORS OF IK POTASSIUM CHANNELS AND CALCINEURIN ANTAGONISTS AND USE THEREOF SWITCH BIOTECH AG (DE) 2004-05-13 WO claimed