SCHEMBL8210320

SCHEMBL8210320

O=C(CNC(=O)c1ccc(Cl)cc1NO)NC(c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 11/20 0.67
SLC6A5 Q9Y345 8/20 0.67
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
GPR139 Q6DWJ6 7/20 0.56
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
HSD17B2 P37059 1/20 0.45

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
SCHEMBL2004224 0.87 SLC6A9 (0.71) SLC6A9SLC6A5CYP2D6CYP2C9GPR139
SCHEMBL2013856 0.85 SLC6A9 (0.72) SLC6A9SLC6A5CYP2D6CYP2C9GPR139
SCHEMBL2011796 0.81 SLC6A9 (0.63) SLC6A9SLC6A5CYP2D6CYP2C9GPR139
SCHEMBL2013066 0.81 SLC6A9 (0.72) SLC6A9SLC6A5CYP2D6CYP2C9GPR139
SCHEMBL2011215 0.81 SLC6A9 (0.72) SLC6A9SLC6A5CYP2D6CYP2C9GPR139
SCHEMBL2010042 0.81 SLC6A9 (0.68) SLC6A9SLC6A5CYP2D6CYP2C9GPR139
SCHEMBL2009331 0.80 SLC6A9 (1.00) SLC6A9SLC6A5CYP2D6CYP2C9GPR139
SCHEMBL2009334 0.80 SLC6A9 (1.00) SLC6A9SLC6A5CYP2D6CYP2C9GPR139
SCHEMBL12572421 0.80 SLC6A9 (1.00) SLC6A9SLC6A5CYP2D6CYP2C9GPR139
SCHEMBL2010557 0.80 SLC6A9 (1.00) SLC6A9SLC6A5CYP2D6CYP2C9GPR139

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
WO-2008022938-A1 DI-AROMATIC SUBSTITUTED AMIDES AS INHIBITORS FOR GLYT1 F. HOFFMANN-LA ROCHE AG (CH) 2008-02-28 WO disclosed