SCHEMBL8110995

SCHEMBL8110995

CO[C@H](COc1nc(N)c2ncn([C@@H]3O[C@H](CO)C(O)C3O)c2n1)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 14/20 0.73
▸ ADORA3 P0DMS8 5/20 0.73
▸ ADORA1 P30542 5/20 0.73
▸ ADORA2B P29275 10/20 0.73

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
SCHEMBL8110988 1.00 ADORA2A (0.73) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL8109937 1.00 ADORA2A (0.73) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL8109943 1.00 ADORA2A (0.73) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL8115461 0.91 ADORA2A (0.81) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL8115464 0.91 ADORA2A (0.81) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL8111075 0.90 ADORA2A (0.84) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL9525243 0.90 ADORA2A (0.84) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL8116622 0.89 ADORA2A (0.77) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL8117289 0.89 ADORA2A (0.77) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL8117288 0.89 ADORA2A (0.77) ADORA2AADORA3ADORA1ADORA2B

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
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