SCHEMBL6926199

SCHEMBL6926199

Nc1cccc(C(=O)Nc2cccc(Oc3ccc(C(F)(F)F)nc3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.58
PTGS1 P23219 3/20 0.48
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LOX P28300 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43

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
SCHEMBL6927138 0.90 GRM5 (0.55) GRM5PTGS1ALOX15TSHRCASP1
SCHEMBL6927261 0.88 GRM5 (0.73) GRM5
SCHEMBL6924962 0.88 GRM5 (0.76) GRM5
SCHEMBL12416348 0.85 GRM5 (0.56) GRM5ALOX15TSHRCASP1NPSR1
SCHEMBL12416693 0.85 GRM5 (0.68) GRM5
SCHEMBL6927436 0.85 GRM5 (0.80) GRM5
SCHEMBL6926154 0.80 GRM5 (0.77) GRM5
SCHEMBL6925820 0.80 GRM5 (0.76) GRM5
SCHEMBL6927500 0.79 GRM5 (0.77) GRM5
SCHEMBL6927556 0.78 GRM5 (0.69) 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