SCHEMBL8111134

SCHEMBL8111134

COc1cccc(CCOc2nc(N)c3ncn([C@@H]4O[C@H](CO)C(O)C4O)c3n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 1.00
ADORA2B P29275 12/20 1.00
ADORA3 P0DMS8 3/20 0.80
ADORA1 P30542 3/20 0.80

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
SCHEMBL8111122 1.00 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL5500235 0.96 ADORA2A (0.92) ADORA2AADORA2BADORA3ADORA1
SCHEMBL5500247 0.96 ADORA2A (0.92) ADORA2AADORA2BADORA3ADORA1
SCHEMBL4759990 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL4759992 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL8115649 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL8115637 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL5076223 0.88 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL8115549 0.88 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL2291656 0.88 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0515514-B1 2-ARALKOXY AND 2-ALKOXY ADENOSINE DERIVATIVES AS CORONARY VASODILATORS AND ANTIHYPERTENSIVE AGENTS DISCOVERY THERAPEUTICS INC (US) 2000-08-30 EP disclosed
US-RE36494-E 2-aralkoxy and 2-alkoxy adenosine derivatives as coronary vasodilators and antihypertensive agents DISCOVERY THERAPEUTICS, INC. (US) 2000-01-11 US disclosed
EP-0515514-A4 2-ARALKOXY AND 2-ALKOXY ADENOSINE DERIVATIVES AS CORONARY VASODILATORS AND ANTIHYPERTENSIVE AGENTS 1993-01-13 EP disclosed
EP-0515514-A1 2-ARALKOXY AND 2-ALKOXY ADENOSINE DERIVATIVES AS CORONARY VASODILATORS AND ANTIHYPERTENSIVE AGENTS WHITBY RESEARCH, Inc. (US) 1992-12-02 EP disclosed
US-5140015-A Racemic mixture for inducing an adenosine response in humans and animals WHITBY RESEARCH, INC. (US) 1992-08-18 US disclosed
WO-1991013082-A1 2-ARALKOXY AND 2-ALKOXY ADENOSINE DERIVATIVES AS CORONARY VASODILATORS AND ANTIHYPERTENSIVE AGENTS WHITBY RESEARCH, INC. (US) 1991-09-05 WO disclosed