SCHEMBL7208826

SCHEMBL7208826

CCc1noc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(NC5CC6CCC5C6)nc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.55
ADORA1 P30542 6/20 0.47
ADORA3 P0DMS8 5/20 0.47
ADORA2B P29275 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
Formic Acid SCHEMBL7203811 0.97 ADORA2A (0.54) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7203817 0.92 ADORA2A (0.50) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7203813 0.91 ADORA2A (0.49) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL8084702 0.86 ADORA2A (0.69) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7202888 0.86 ADORA2A (0.69) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7202884 0.86 ADORA2A (0.69) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL8084699 0.86 ADORA2A (0.69) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7202095 0.85 ADORA2A (0.59) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7202098 0.85 ADORA2A (0.59) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7204100 0.84 ADORA2A (0.58) ADORA2AADORA1ADORA3ADORA2B

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
US-6610665-B1 Treatment of inflammatory diseases, asthma or chronic obstructive pulmonary disease SMITHKLINE BEECHAM CORPORATION 2003-08-26 US claimed
EP-1056759-B1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-09-04 EP claimed