SCHEMBL6929004

SCHEMBL6929004

NC(=O)c1cc(Oc2cccnc2)ccn1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.59
LMNA P02545 1/20 0.56
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL30635207 1.00 GRM5 (0.59) GRM5LMNATDP1
SCHEMBL2193806 0.87 GRM5 (0.60) GRM5LMNATDP1
SCHEMBL30079970 0.85 GRM5 (0.59) GRM5
SCHEMBL4155509 0.84 PARP10 (0.51) GRM5
SCHEMBL177837 0.81 MAOB (0.50) GRM5
SCHEMBL30635200 0.80 GRM5 (0.50) GRM5
SCHEMBL15556982 0.79 CDK8 (0.46)
SCHEMBL23900346 0.79 USP2 (0.50) GRM5
SCHEMBL29757280 0.79 USP2 (0.50) GRM5
SCHEMBL257972 0.79 MAPT (0.48) GRM5LMNA

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-2011035186-A1 SUBSTITUTED HETEROARYLAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY (US) 2011-03-24 WO disclosed