SCHEMBL6859798

SCHEMBL6859798

COCCN(CCOC)c1nc(C(=O)c2cccs2)c2sccc2n1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.68
ADORA1 P30542 11/20 0.68
ADORA2B P29275 7/20 0.47
GAA P10253 1/20 0.42

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
SCHEMBL6852899 0.81 ADORA2A (1.00) ADORA2AADORA1ADORA2B
SCHEMBL6859788 0.80 ADORA2A (0.74) ADORA2AADORA1ADORA2B
SCHEMBL6852910 0.80 ADORA2A (0.74) ADORA2AADORA1ADORA2B
SCHEMBL6212561 0.79 ADORA2A (0.77) ADORA2AADORA1ADORA2B
Hydrochloric Acid SCHEMBL6860959 0.79 ADORA2A (0.73) ADORA2AADORA1ADORA2B
SCHEMBL6215875 0.78 ADORA2A (0.76) ADORA2AADORA1ADORA2B
SCHEMBL6859505 0.77 ADORA2A (1.00) ADORA2AADORA1ADORA2B
SCHEMBL6859709 0.75 ADORA2A (1.00) ADORA2AADORA1ADORA2B
SCHEMBL6213079 0.75 ADORA2A (0.70) ADORA2AADORA1ADORA2B
SCHEMBL2563509 0.74 ADORA2A (1.00) ADORA2AADORA1ADORA2B

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
US-6787541-B1 MOVEMENT DISORDERS, PARKINSON'S DISEASE VERNALIS RESEARCH LIMITED (GB) 2004-09-07 US disclosed