SCHEMBL8159245

SCHEMBL8159245

O=C1NCCc2cc(-c3cccc(Cl)c3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 10/20 1.00
PARP11 Q9NR21 10/20 1.00
GRM5 P41594 3/20 0.65
TDP2 O95551 2/20 0.62
PARP1 P09874 2/20 0.56
F7 P08709 1/20 0.56
F3 P13726 1/20 0.56
MAPKAPK2 P49137 2/20 0.50
PGR P06401 1/20 0.50
PDPK1 O15530 1/20 0.50
GSK3B P49841 1/20 0.48

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
SCHEMBL8155836 0.86 PARP10 (0.76) PARP10PARP11GRM5TDP2PARP1
SCHEMBL8155722 0.84 PARP11 (1.00) PARP10PARP11GRM5TDP2PARP1
SCHEMBL1315035 0.82 PARP10 (0.74) PARP10PARP11GRM5PARP1F7
SCHEMBL8156296 0.82 PARP10 (1.00) PARP10PARP11GRM5PARP1MAPKAPK2
SCHEMBL8167365 0.79 PARP11 (0.68) PARP10PARP11GRM5PARP1F7
SCHEMBL8159275 0.79 PARP10 (1.00) PARP10PARP11TDP2PARP1MAPKAPK2
SCHEMBL504254 0.79 GRM5 (1.00) PARP10PARP11GRM5PARP1F7
SCHEMBL8154135 0.79 PARP10 (0.69) PARP10PARP11GRM5PARP1MAPKAPK2
SCHEMBL6192593 0.78 PARP10 (0.64) PARP10PARP11GRM5TDP2PGR
SCHEMBL31504073 0.78 PARP10 (0.64) PARP10PARP11TDP2PGR

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-2008151184-A1 BENZAMIDE MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY (US) 2008-12-11 WO disclosed