SCHEMBL5034182

SCHEMBL5034182

COc1ccc(N2CCOCC2)c2sc(OC(=O)NCCc3ccccc3Cl)nc12

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.49
ADORA1 P30542 13/20 0.49
ADORA2B P29275 4/20 0.47
ADORA3 P0DMS8 2/20 0.47

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
SCHEMBL5037316 0.92 ADORA2A (0.51) ADORA2AADORA1ADORA2BADORA3
SCHEMBL7141896 0.88 ADORA2A (0.52) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5034263 0.88 ADORA2A (0.52) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5037376 0.87 ADORA2A (0.56) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5037630 0.86 ADORA2A (0.51) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5043687 0.86 ADORA2A (0.53) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5041517 0.86 ADORA2A (0.49) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5041829 0.84 ADORA2A (0.56) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5037325 0.83 ADORA2A (0.49) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5037330 0.83 ADORA2A (0.49) 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
EP-1450796-B1 BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-04-09 EP claimed