SCHEMBL7660955

SCHEMBL7660955

CN(Cc1cccc(CN(C)CC(CO)CO)n1)CC(CO)CO

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.39
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
TRPV3 Q8NET8 7/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
KCNH2 Q12809 1/20 0.32
AOC3 Q16853 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
CNR2 P34972 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
SCHEMBL7655922 0.84 TYMP (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7663640 0.83 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7106657 0.82 PNP (0.39) PNP
SCHEMBL7658480 0.81 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7103584 0.79 PNP (0.44) PNP
SCHEMBL7655280 0.76 HSD17B10 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7652140 0.75 PNP (0.39) PNPCNR2
SCHEMBL7655218 0.74 GRIN2D (0.39) PNPGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14590061 0.71 TSHR (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7661016 0.69 GRIN2D (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 US claimed
US-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 US disclosed