SCHEMBL7655038

SCHEMBL7655038

CN(CCO)Cc1ccc(CN(C)CCO)nc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 6/20 0.44
CD274 Q9NZQ7 6/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 2/20 0.38
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
LTA4H P09960 1/20 0.37
F10 P00742 1/20 0.37
S1PR1 P21453 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL14665877 0.83 HSD17B10 (0.44) PDCD1CD274HSD17B10NPSR1POLB
SCHEMBL5255891 0.81 PDCD1 (0.44) PDCD1CD274HSD17B10KDM4ELTA4H
SCHEMBL14658982 0.81 HSD17B10 (0.43) PDCD1CD274HSD17B10KDM4EPOLB
SCHEMBL7107855 0.81 HSD17B10 (0.47) PDCD1CD274HSD17B10KDM4EPOLB
SCHEMBL7652140 0.80 PNP (0.39) PDCD1CD274KMT2AMAPTMEN1
SCHEMBL7650291 0.79 POLB (0.42) PDCD1CD274HSD17B10KDM4ETSHR
SCHEMBL7658936 0.78 KMT2A (0.45) POLBKMT2AMAPTS1PR1MEN1
SCHEMBL7650963 0.76 KMT2A (0.39) KDM4EPOLBKMT2AMAPTMEN1
SCHEMBL14659260 0.76 CYP2C19 (0.43) PDCD1CD274HSD17B10KDM4ETSHR
SCHEMBL17195529 0.74 CARM1 (0.41) PDCD1CD274HSD17B10KDM4ES1PR1

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