SCHEMBL8359702

SCHEMBL8359702

COc1ccc(N2CCOCC2)c2sc(C(=O)NCCc3ccccn3)nc12

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.51
ADORA1 P30542 11/20 0.51
ADORA2B P29275 3/20 0.51
ADORA3 P0DMS8 2/20 0.51

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
SCHEMBL5034128 0.88 ADORA2A (0.54) ADORA2AADORA1ADORA2BADORA3
SCHEMBL7147894 0.87 ADORA2A (0.54) ADORA2AADORA1ADORA2BADORA3
SCHEMBL7141896 0.85 ADORA2A (0.52) ADORA2AADORA1ADORA2BADORA3
SCHEMBL8359817 0.84 ADORA2A (0.53) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5036763 0.84 ADORA2A (0.58) ADORA2AADORA1ADORA2BADORA3
SCHEMBL7149310 0.83 ADORA2A (0.58) ADORA2AADORA1ADORA2BADORA3
SCHEMBL7141867 0.83 ADORA2A (0.58) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5034251 0.82 ADORA2A (0.54) ADORA2AADORA1ADORA2BADORA3
SCHEMBL7147447 0.82 ADORA2A (0.54) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5038485 0.82 ADORA2A (0.56) ADORA2AADORA1ADORA2BADORA3

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-2003045385-A1 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-06-05 WO disclosed