SCHEMBL2109119

SCHEMBL2109119

O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(O)C1)c1cc2cc(Cl)cnc2[nH]1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP51A1 Q16850 12/20 0.71
PYGL P06737 5/20 0.71
PYGM P11217 1/20 0.71
HRH4 Q9H3N8 1/20 0.42
CYP3A4 P08684 1/20 0.40
UGCG Q16739 1/20 0.40

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
SCHEMBL2606918 1.00 CYP51A1 (0.71) CYP51A1PYGLPYGMHRH4CYP3A4
SCHEMBL2606915 1.00 CYP51A1 (0.71) CYP51A1PYGLPYGMHRH4CYP3A4
SCHEMBL2606914 0.95 CYP51A1 (0.64) CYP51A1PYGLPYGMHRH4
SCHEMBL2107376 0.95 CYP51A1 (0.78) CYP51A1PYGLPYGMHRH4CYP3A4
SCHEMBL13271494 0.88 CYP51A1 (0.59) CYP51A1PYGLPYGMHRH4
SCHEMBL2106974 0.88 CYP51A1 (0.70) CYP51A1PYGLPYGM
SCHEMBL2107356 0.88 CYP51A1 (0.67) CYP51A1PYGLPYGM
SCHEMBL2106891 0.86 CYP51A1 (0.65) CYP51A1PYGLPYGMHRH4CYP3A4
SCHEMBL2606793 0.86 CYP51A1 (0.65) CYP51A1PYGLPYGMHRH4CYP3A4
SCHEMBL13271504 0.86 CYP51A1 (0.65) CYP51A1PYGLPYGMHRH4CYP3A4

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