SCHEMBL7202140

SCHEMBL7202140

CCc1noc([C@H]2O[C@@H](n3cnc4c(NC(CC)CC)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.56
ADORA2A P29274 7/20 0.56
ADORA3 P0DMS8 7/20 0.56
ADORA2B P29275 4/20 0.51
HTR2C P28335 2/20 0.50
TMIGD3 P0DMS9 1/20 0.50
HTR2B P41595 1/20 0.50
NT5E P21589 1/20 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
SCHEMBL7208637 0.90 ADORA3 (0.57) ADORA1ADORA2AADORA3ADORA2BHTR2C
SCHEMBL6796905 0.87 ADORA1 (0.56) ADORA1ADORA2AADORA3ADORA2BHTR2C
SCHEMBL7205475 0.86 ADORA1 (0.45) ADORA1ADORA2AADORA3ADORA2BHTR2C
SCHEMBL7569540 0.85 ADORA2A (0.51) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL8090571 0.84 ADORA3 (0.58) ADORA1ADORA2AADORA3ADORA2BHTR2C
SCHEMBL3914182 0.84 ADORA3 (0.58) ADORA1ADORA2AADORA3ADORA2BHTR2C
SCHEMBL3914192 0.84 ADORA3 (0.58) ADORA1ADORA2AADORA3ADORA2BHTR2C
SCHEMBL7211345 0.84 ADORA2A (0.54) ADORA1ADORA2AADORA3ADORA2BNT5E
Formic Acid SCHEMBL6574863 0.84 ADORA1 (0.52) ADORA1ADORA2AADORA3ADORA2BHTR2C
SCHEMBL6878900 0.84 ADORA3 (0.55) ADORA1ADORA2AADORA3ADORA2BHTR2C

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 4 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 disclosed
EP-1056759-B1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-09-04 EP disclosed
EP-1056759-A1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-12-06 EP disclosed
WO-1999041267-A1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-08-19 WO disclosed