SCHEMBL2109016

SCHEMBL2109016

O=C(NC(Cc1ccc(F)cc1)C(=O)NC1CC1)c1cc2cc(Cl)ncc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PYGL P06737 8/20 0.53
CYP51A1 Q16850 6/20 0.53
PYGM P11217 1/20 0.53
AVPR1A P37288 4/20 0.44
OXTR P30559 1/20 0.44
ALB P02768 1/20 0.43
IL2 P60568 1/20 0.43
MLLT1 Q03111 1/20 0.43

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
SCHEMBL2606797 1.00 PYGL (0.53) PYGLCYP51A1PYGMAVPR1AOXTR
SCHEMBL2606947 0.96 PYGL (0.52) PYGLCYP51A1PYGMAVPR1AALB
SCHEMBL2606950 0.96 PYGL (0.52) PYGLCYP51A1PYGMAVPR1AALB
SCHEMBL2606894 0.96 PYGL (0.51) PYGLCYP51A1PYGMAVPR1AALB
SCHEMBL2606896 0.96 PYGL (0.51) PYGLCYP51A1PYGMAVPR1AOXTR
SCHEMBL2607006 0.94 PYGL (0.50) PYGLCYP51A1PYGMAVPR1AOXTR
SCHEMBL2107845 0.93 CYP51A1 (0.53) PYGLCYP51A1PYGMAVPR1AOXTR
SCHEMBL2606951 0.91 PYGL (0.55) PYGLCYP51A1
SCHEMBL2606954 0.88 PYGL (0.51) PYGLCYP51A1PYGMALBIL2
SCHEMBL2606897 0.88 PYGL (0.51) PYGLCYP51A1PYGMALBIL2

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