SCHEMBL8167145

SCHEMBL8167145

O=C1NCCc2cc(-c3ccc(F)cc3)ccc21

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 10/20 0.76
PARP11 Q9NR21 10/20 0.76
GRM5 P41594 5/20 0.67
PARP1 P09874 2/20 0.61
GSK3B P49841 2/20 0.51
PDPK1 O15530 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
DAPK3 O43293 1/20 0.49
NTRK1 P04629 1/20 0.49
PIM1 P11309 1/20 0.49
FLT3 P36888 1/20 0.49
ROCK1 Q13464 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
TDP2 O95551 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
SCHEMBL8151110 0.89 PARP10 (0.78) PARP10PARP11GRM5PARP1GSK3B
SCHEMBL797294 0.87 PARP10 (0.76) PARP10PARP11GRM5PARP1GSK3B
SCHEMBL794160 0.86 PARP10 (0.74) PARP10PARP11GRM5PARP1PDPK1
SCHEMBL8151102 0.86 PARP10 (0.70) PARP10PARP11GRM5PARP1GSK3B
SCHEMBL8155722 0.85 PARP11 (1.00) PARP10PARP11GRM5PARP1GSK3B
SCHEMBL8155744 0.84 PARP10 (0.74) PARP10PARP11PARP1GSK3BPDPK1
SCHEMBL8155836 0.84 PARP10 (0.76) PARP10PARP11GRM5PARP1GSK3B
SCHEMBL16561672 0.84 PARP10 (0.76) PARP10PARP11GRM5PARP1GSK3B
SCHEMBL28140768 0.84 PARP11 (0.74) PARP10PARP11GRM5PARP1GSK3B
SCHEMBL18936971 0.82 MAPK1 (0.60) PARP10PARP11GRM5PARP1GABRG2

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