SCHEMBL2106977

SCHEMBL2106977

O=C(NCC(O)c1cccnc1)c1cc2cc(Cl)ncc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PYGL P06737 8/20 0.45
IDO1 P14902 2/20 0.41
NAMPT P43490 3/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
F9 P00740 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39

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
SCHEMBL2606820 1.00 PYGL (0.45) PYGLIDO1NAMPTADRB2ADRB1
SCHEMBL1608870 0.87 PYGL (0.60) PYGLIDO1
SCHEMBL12738418 0.87 PYGL (0.60) PYGLIDO1
SCHEMBL2107450 0.83 PYGL (0.44) PYGLNAMPTF9
SCHEMBL2606821 0.80 PYGL (0.49) PYGL
SCHEMBL2107472 0.79 PYGL (0.51) PYGLIDO1NAMPT
SCHEMBL1202395 0.76 MAP2K1 (0.48) PYGLIDO1
SCHEMBL14375040 0.74 PYGL (0.37) PYGLIDO1
SCHEMBL2106978 0.73 MMP2 (0.39) PYGLIDO1
SCHEMBL2106985 0.73 PYGL (0.52) PYGLITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158622-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2012-04-17 US disclosed