SCHEMBL8167365

SCHEMBL8167365

O=C1NCCc2cc(-c3ccccc3Cl)ccc21

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP11 Q9NR21 10/20 0.68
PARP10 Q53GL7 10/20 0.68
GRM5 P41594 6/20 0.59
PARP1 P09874 3/20 0.58
PDPK1 O15530 1/20 0.58
F7 P08709 1/20 0.49
F3 P13726 1/20 0.49
GSK3B P49841 1/20 0.48
MAPKAPK2 P49137 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
SCHEMBL8167149 0.82 PARP10 (0.46) PARP11PARP10GRM5PARP1PDPK1
SCHEMBL8154134 0.82 PARP11 (0.68) PARP11PARP10GRM5PARP1PDPK1
SCHEMBL8155829 0.82 PARP11 (0.68) PARP11PARP10GRM5PARP1PDPK1
SCHEMBL8155722 0.81 PARP11 (1.00) PARP11PARP10GRM5PARP1PDPK1
SCHEMBL8155836 0.80 PARP10 (0.76) PARP11PARP10GRM5PARP1PDPK1
SCHEMBL8159245 0.79 PARP10 (1.00) PARP11PARP10GRM5PARP1PDPK1
SCHEMBL20294385 0.79 PARP11 (0.72) PARP11PARP10GRM5PARP1PDPK1
SCHEMBL30041002 0.77 PARP10 (0.55) PARP11PARP10GRM5PARP1F7
SCHEMBL27157851 0.77 PARP10 (0.55) PARP11PARP10GRM5PARP1F7
SCHEMBL29750194 0.76 PARP11 (0.59) PARP11PARP10PARP1PDPK1GSK3B

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