SCHEMBL6928690

SCHEMBL6928690

CBc1cccc(C(=O)Nc2cncc(N(C)c3cncnc3)c2)c1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 19/20 0.72
BCAT2 O15382 1/20 0.45

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
SCHEMBL12416420 0.85 GRM5 (0.77) GRM5
SCHEMBL6927318 0.84 GRM5 (1.00) GRM5
SCHEMBL6926675 0.84 GRM5 (0.76) GRM5BCAT2
SCHEMBL2193262 0.84 GRM5 (1.00) GRM5
SCHEMBL6926658 0.81 GRM5 (1.00) GRM5
SCHEMBL12416407 0.81 GRM5 (0.80) GRM5BCAT2
SCHEMBL12411995 0.76 GRM5 (0.64) GRM5
SCHEMBL12503368 0.75 GRM5 (0.62) GRM5
SCHEMBL12412779 0.75 GRM5 (0.83) GRM5
SCHEMBL12830501 0.75 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