SCHEMBL7658480

SCHEMBL7658480

OCC(CO)CN(Cc1cccc(CN(CC(CO)CO)CC(CO)CO)n1)CC(CO)CO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
TRPV3 Q8NET8 3/20 0.34
HRH4 Q9H3N8 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LIN28A Q9H9Z2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
KCNH2 Q12809 1/20 0.31
CCR4 P51679 1/20 0.31
TSHR P16473 1/20 0.30
RECQL P46063 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
SCHEMBL7658744 0.83 KCNA5 (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7660955 0.81 PNP (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7109245 0.81
SCHEMBL7105228 0.76 PNP (0.33)
SCHEMBL7660927 0.74 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7661016 0.72 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7659401 0.72 MAPT (0.30) MAPTSMN1; SMN2LIN28ATDP1
SCHEMBL7655218 0.69 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7655922 0.69 TYMP (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL522437 0.69 GRIN2D (0.44) 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