SCHEMBL7659642

SCHEMBL7659642

CN(Cc1cncc(CN(C)CC(CO)CO)c1)CC(CO)CO

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.39
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
ALDH1A1 P00352 1/20 0.33
PRMT6 Q96LA8 2/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
AOC3 Q16853 1/20 0.30
POLB P06746 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
SCHEMBL7656330 0.84 ALDH1A1 (0.40) CHRNB2CHRNA4ALDH1A1MEN1KMT2A
SCHEMBL7661155 0.83 CHRNB2 (0.38) CHRNB2CHRNA4ALDH1A1PRMT6MEN1
SCHEMBL7650781 0.81 TSHR (0.30)
SCHEMBL7106657 0.79 PNP (0.39) PNP
SCHEMBL7662648 0.76 HSD17B10 (0.41) CHRNB2CHRNA4PRMT6POLB
SCHEMBL7103584 0.76 PNP (0.44) PNP
SCHEMBL7652140 0.75 PNP (0.39) PNPCHRNB2CHRNA4ALDH1A1MEN1
SCHEMBL7656354 0.74 PNP (0.36) PNPCHRNB2CHRNA4
SCHEMBL7654381 0.69
SCHEMBL7663487 0.69 PNP (0.34) PNPALDH1A1

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