SCHEMBL5489535

SCHEMBL5489535

N#Cc1ncccc1-n1cc(C2=CCN(C(=O)O)CC2)nn1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 17/20 0.55
GRM5 P41594 13/20 0.55
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH1 P35367 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL12975576 0.86 GRM1 (0.70) GRM1GRM5
SCHEMBL2893797 0.85 GRM1 (0.58) GRM1GRM5ALDH1A1SMN1; SMN2HRH1
SCHEMBL2892061 0.85 GRM1 (0.74) GRM1GRM5ALDH1A1SMN1; SMN2HRH1
SCHEMBL27666676 0.79 GRM1 (0.74) GRM1GRM5ALDH1A1SMN1; SMN2
SCHEMBL2891696 0.79 GRM1 (0.57) GRM1GRM5ALDH1A1SMN1; SMN2
SCHEMBL2885105 0.79 GRM1 (0.73) GRM1GRM5ALDH1A1SMN1; SMN2
SCHEMBL2888969 0.77 GRM1 (0.72) GRM1GRM5ALDH1A1SMN1; SMN2
SCHEMBL2893976 0.76 GRM1 (0.77) GRM1GRM5
SCHEMBL2893262 0.76 GRM1 (0.73) GRM1GRM5ALDH1A1SMN1; SMN2
SCHEMBL2893240 0.75 GRM1 (0.71) GRM1GRM5ALDH1A1SMN1; SMN2

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
EP-1764362-A1 BIARYL DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-21 EP disclosed