SCHEMBL7109239

SCHEMBL7109239

CN(CCO)Cc1cncc(CN(C)CCO)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.38
PDCD1 Q15116 2/20 0.36
CD274 Q9NZQ7 2/20 0.36
PNP P00491 1/20 0.33
MAPT P10636 1/20 0.32
BCHE P06276 1/20 0.32
SLC29A1 Q99808 1/20 0.32
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LTA4H P09960 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
SCHEMBL7655280 0.80 HSD17B10 (0.49) HSD17B10POLBPDCD1CD274KDM4E
SCHEMBL7108658 0.79 BCHE (0.41) POLBPNPMAPTBCHEKDM4E
SCHEMBL7107855 0.79 HSD17B10 (0.47) HSD17B10POLBPDCD1CD274PNP
SCHEMBL7662648 0.76 HSD17B10 (0.41) HSD17B10POLBLTA4H
SCHEMBL7106657 0.76 PNP (0.39) PNP
SCHEMBL7108601 0.74 TYMP (0.39) POLBPNPKDM4EL3MBTL1
SCHEMBL7103722 0.71
SCHEMBL7108544 0.71 PNP (0.36) PNP
SCHEMBL7655038 0.71 PDCD1 (0.44) HSD17B10POLBPDCD1CD274MAPT
SCHEMBL14665877 0.71 HSD17B10 (0.44) HSD17B10POLBPDCD1CD274MAPT

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