SCHEMBL7828518

SCHEMBL7828518

Nc1nc(Sc2ccccc2)nc2nc(-c3ccco3)nn12

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.73
ADORA2B P29275 6/20 0.73
ADORA2A P29274 13/20 0.66
ADORA1 P30542 8/20 0.66

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
SCHEMBL9264847 0.85 ADORA3 (1.00) ADORA3ADORA2BADORA2AADORA1
SCHEMBL9328262 0.83 ADORA3 (0.67) ADORA3ADORA2BADORA2AADORA1
SCHEMBL9328920 0.82 ADORA2B (0.66) ADORA3ADORA2BADORA2AADORA1
SCHEMBL9427973 0.82 ADORA2A (0.72) ADORA3ADORA2BADORA2AADORA1
SCHEMBL9327033 0.81 ADORA3 (0.51) ADORA3ADORA2BADORA2AADORA1
SCHEMBL9325959 0.81 ADORA3 (0.48) ADORA3ADORA2BADORA2AADORA1
SCHEMBL5428722 0.80 ADORA2A (1.00) ADORA3ADORA2BADORA2AADORA1
SCHEMBL9327336 0.80 ADORA3 (0.69) ADORA3ADORA2BADORA2AADORA1
SCHEMBL9325713 0.79 ADORA3 (0.46) ADORA3ADORA2BADORA2AADORA1
SCHEMBL9327392 0.79 ADORA3 (0.67) ADORA3ADORA2BADORA2AADORA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0667349-B1 DEPRESSION REMEDY KYOWA HAKKO KOGYO KK (JP) 2001-01-24 EP disclosed
EP-0667349-A1 DEPRESSION REMEDY KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1995-08-16 EP disclosed