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Sugi Predict / Compounds / SCHEMBL7663573

SCHEMBL7663573

SCHEMBL7663573

OCC(CO)CNCc1cncc(CNCC(CO)CO)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 1/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ ADRB2 P07550 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL7659608 0.83 PNP (0.38) PNPCYP1A2CYP2D6ADRB2
SCHEMBL7655578 0.81 PNP (0.39) PNPCYP1A2CYP2D6ADRB2ALDH1A1
SCHEMBL7106463 0.77 PNP (0.36) PNP
SCHEMBL7652647 0.74 GSR (0.46) CYP1A2CYP2D6ALDH1A1NPSR1
SCHEMBL7663759 0.72 TYMP (0.35) PNPALDH1A1
SCHEMBL7104789 0.72 PNP (0.41) PNP
SCHEMBL7662068 0.72 CXCR4 (0.43) PNPCYP1A2CYP2D6ADRB2ALDH1A1
SCHEMBL25343744 0.68 MEN1 (0.52) CYP1A2CYP2D6ALDH1A1
SCHEMBL2567878 0.68 SLC2A4 (0.41) ALDH1A1NPSR1
SCHEMBL7655174 0.67 PNP (0.39) 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 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
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