SCHEMBL7205475

SCHEMBL7205475

CCc1noc([C@H]2O[C@@H](n3cnc4c(NC(CC)CC)nc(Cl)nc43)[C@@H]3OC(C)(C)O[C@@H]32)n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.45
ADORA3 P0DMS8 8/20 0.45
ADORA2A P29274 7/20 0.45
HTR2C P28335 2/20 0.44
TMIGD3 P0DMS9 1/20 0.44
HTR2B P41595 1/20 0.44
HRH2 P25021 1/20 0.41
HTR5A P47898 1/20 0.41
ADORA2B P29275 3/20 0.40
NT5E P21589 1/20 0.37

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
SCHEMBL7206711 0.91 ADORA1 (0.46) ADORA1ADORA3ADORA2AHTR2CTMIGD3
SCHEMBL7205095 0.88 ADORA1 (0.46) ADORA1ADORA3ADORA2AHTR2CTMIGD3
SCHEMBL7202140 0.86 ADORA1 (0.56) ADORA1ADORA3ADORA2AHTR2CTMIGD3
SCHEMBL7209134 0.85 ADORA3 (0.47) ADORA1ADORA3ADORA2AADORA2BNT5E
SCHEMBL7202879 0.85 ADORA2A (0.48) ADORA1ADORA3ADORA2AADORA2BNT5E
SCHEMBL7099549 0.83 ADORA1 (0.47) ADORA1ADORA3ADORA2AHTR2CTMIGD3
SCHEMBL6839871 0.80 PI4KA (0.55) ADORA1ADORA3ADORA2AHTR2CTMIGD3
SCHEMBL6839866 0.80 PI4KA (0.55) ADORA1ADORA3ADORA2AHTR2CTMIGD3
SCHEMBL7201958 0.80 ADORA2A (0.47) ADORA1ADORA3ADORA2AADORA2BNT5E
SCHEMBL6839226 0.79 ADORA2A (0.54) ADORA1ADORA3ADORA2AHTR2CTMIGD3

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