SCHEMBL7988852

SCHEMBL7988852

COc1ccccc1-n1nnc(C(=O)Nc2cccc(C)n2)c1C

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 14/20 0.56
GSK3B P49841 1/20 0.55
WNT3A P56704 1/20 0.55
GRM5 P41594 1/20 0.50
RXFP1 Q9HBX9 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
SCHEMBL24695901 0.86 GSK3B (0.72) GSK3BWNT3AGRM5
SCHEMBL30388073 0.85 WNT3A (0.77) NR1I2GSK3BWNT3A
SCHEMBL20604148 0.85 WNT3A (0.77) NR1I2GSK3BWNT3A
SCHEMBL24694838 0.82 GSK3B (0.58) NR1I2GSK3BWNT3A
SCHEMBL7996185 0.80 GRM5 (0.61) NR1I2GRM5
SCHEMBL3405207 0.79 GRM5 (0.67) GRM5
SCHEMBL20604169 0.78 GRM5 (0.58) GSK3BWNT3AGRM5
SCHEMBL30387819 0.78 GRM5 (0.58) GSK3BWNT3AGRM5
SCHEMBL17454344 0.77 MAPT (0.61) NR1I2RXFP1
SCHEMBL3406092 0.77 HTT (0.61) NR1I2

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-2009115486-A1 TRIAZOLE AMIDE DERIVATIVES FOR USE IN THERAPY GLAXO GROUP LIMITED (GB) 2009-09-24 WO disclosed