SCHEMBL7652131

SCHEMBL7652131

O=C(NC(O)CC(O)CO)c1cncc(C(=O)NC(O)CC(O)CO)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.34
PSMB5 P28074 4/20 0.34
CTSA P10619 2/20 0.34
LONP1 P36776 5/20 0.33
PSMB11 A5LHX3 2/20 0.33
PSMA7 O14818 2/20 0.33
PSMB1 P20618 2/20 0.33
PSMA1 P25786 2/20 0.33
PSMA2 P25787 2/20 0.33
PSMA3 P25788 2/20 0.33
PSMA4 P25789 2/20 0.33
PSMB8 P28062 2/20 0.33
PSMB9 P28065 2/20 0.33
PSMA5 P28066 2/20 0.33
PSMB4 P28070 2/20 0.33
PSMB6 P28072 2/20 0.33
PSMB10 P40306 2/20 0.33
PSMB3 P49720 2/20 0.33
PSMB2 P49721 2/20 0.33
PSMA6 P60900 2/20 0.33

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
SCHEMBL7663622 0.84 POLB (0.41) CTSA
SCHEMBL7658603 0.83 MME (0.39) CNR1PSMB5LONP1PSMB11PSMA7
SCHEMBL7654705 0.81 KDM4E (0.40)
SCHEMBL7650766 0.80 CTSA (0.35) CNR1PSMB5CTSALONP1PSMB11
SCHEMBL7108034 0.78 CNR1 (0.44) CNR1CTSAS1PR3AKR1B1
SCHEMBL7108469 0.77 CNR2 (0.41)
SCHEMBL7655301 0.76 ALDH1A1 (0.43)
SCHEMBL7109282 0.75 CNR1 (0.42) CNR1PSMB5CTSALONP1PSMB11
SCHEMBL7650887 0.74 CNR1 (0.39) CNR1PSMB5CTSALONP1PSMB11
SCHEMBL7106764 0.72 CNR1 (0.46) CNR1S1PR3GRNSORT1AKR1B1

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