SCHEMBL2108987

SCHEMBL2108987

O=C(N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CC(O)C(O)C1)c1cc2cc(Cl)ncc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PYGL P06737 16/20 0.55
CYP51A1 Q16850 5/20 0.49

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
SCHEMBL13271483 1.00 PYGL (0.55) PYGLCYP51A1
SCHEMBL2606866 1.00 PYGL (0.55) PYGLCYP51A1
SCHEMBL13271638 1.00 PYGL (0.55) PYGLCYP51A1
SCHEMBL2106895 1.00 PYGL (0.55) PYGLCYP51A1
SCHEMBL2606806 0.90 PYGL (0.56) PYGLCYP51A1
SCHEMBL2606886 0.90 PYGL (0.56) PYGLCYP51A1
SCHEMBL2606807 0.90 CYP51A1 (0.62) PYGLCYP51A1
SCHEMBL2606777 0.90 PYGL (0.57) PYGLCYP51A1
SCHEMBL2108520 0.90 PYGL (0.57) PYGLCYP51A1
SCHEMBL2606765 0.90 PYGL (0.57) PYGLCYP51A1

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