SCHEMBL2107382

SCHEMBL2107382

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

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PYGL P06737 10/20 0.64
CYP51A1 Q16850 11/20 0.60
PYGM P11217 1/20 0.50

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
SCHEMBL2606809 1.00 PYGL (0.64) PYGLCYP51A1PYGM
SCHEMBL2107341 0.94 PYGL (0.64) PYGLCYP51A1PYGM
SCHEMBL2606946 0.91 CYP51A1 (0.61) PYGLCYP51A1PYGM
SCHEMBL2606771 0.91 CYP51A1 (0.61) PYGLCYP51A1PYGM
SCHEMBL2108092 0.91 CYP51A1 (0.61) PYGLCYP51A1PYGM
SCHEMBL2608592 0.90 CYP51A1 (0.69) PYGLCYP51A1PYGM
SCHEMBL2109465 0.90 CYP51A1 (0.69) PYGLCYP51A1PYGM
SCHEMBL2108107 0.90 CYP51A1 (0.69) PYGLCYP51A1PYGM
SCHEMBL2108987 0.90 PYGL (0.55) PYGLCYP51A1
SCHEMBL13271638 0.90 PYGL (0.55) 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