SCHEMBL7106628

SCHEMBL7106628

OCC(O)CN(Cc1cnc(CN(CC(O)CO)CC(O)CO)cn1)CC(O)CO

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PNP P00491 4/20 0.36
KCNA5 P22460 1/20 0.35
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35
SCN5A Q14524 1/20 0.35
KCND3 Q9UK17 1/20 0.35
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL7660448 0.83 PNP (0.37) PNPKCNA5KCNJ5KCNJ3SCN5A
SCHEMBL7105228 0.82 PNP (0.33) PNP
SCHEMBL7108600 0.81 TYMP (0.41) PNPKCNA5KCNJ5KCNJ3SCN5A
SCHEMBL7104647 0.81 PNP (0.32) PNPKCNA5KCNJ5KCNJ3SCN5A
SCHEMBL7658744 0.77 KCNA5 (0.36) PNPKCNA5KCNJ5KCNJ3SCN5A
SCHEMBL7663487 0.73 PNP (0.34) PNPALDH1A1
SCHEMBL7107256 0.70 BCHE (0.43) PNPALDH1A1
SCHEMBL1085808 0.69 LMNA (0.53) ALDH1A1LMNA
SCHEMBL7107796 0.68
SCHEMBL7110095 0.68 MTAP (0.34) PNP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001944-B1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-10-01 EP 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 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