SCHEMBL6925820

SCHEMBL6925820

Nc1cccc(C(=O)Nc2cccc(Oc3cncnc3)n2)c1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.76
CYP3A4 P08684 2/20 0.53

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
SCHEMBL6926195 0.90 GRM5 (0.76) GRM5
SCHEMBL6926154 0.89 GRM5 (0.77) GRM5
SCHEMBL6926135 0.86 GRM5 (1.00) GRM5CYP3A4
SCHEMBL6924926 0.86 GRM5 (1.00) GRM5CYP3A4
SCHEMBL12416413 0.83 GRM5 (0.80) GRM5
SCHEMBL12416640 0.83 GRM5 (1.00) GRM5
SCHEMBL6927436 0.82 GRM5 (0.80) GRM5
SCHEMBL6925124 0.81 GRM5 (0.76) GRM5
SCHEMBL6926199 0.80 GRM5 (0.58) GRM5
SCHEMBL6925774 0.80 GRM5 (0.62) GRM5

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-2011035174-A1 SUBSTITUTED HETEROARYLAMINE CARBOXAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY (US) 2011-03-24 WO disclosed