SCHEMBL7898469

SCHEMBL7898469

C=CCOC(=O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(O)C1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 9/20 0.75
ADORA1 P30542 3/20 0.62
ADORA3 P0DMS8 2/20 0.62
ADORA2A P29274 2/20 0.62
ADORA2B P29275 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
DPP4 P27487 1/20 0.62
MEN1 O00255 1/20 0.62
SLC28A1 O00337 1/20 0.62
MAP3K7 O43318 1/20 0.62
SLC28A2 O43868 1/20 0.62
GAPDH P04406 1/20 0.62
MAPK1 P28482 1/20 0.62
STAT6 P42226 1/20 0.62
PI4KA P42356 1/20 0.62
KMT2A Q03164 1/20 0.62
PI4K2B Q8TCG2 1/20 0.62
DOT1L Q8TEK3 1/20 0.62
SLC29A1 Q99808 1/20 0.62
PI4K2A Q9BTU6 1/20 0.62

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
SCHEMBL7898371 0.87 AHCY (0.79) AHCYADORA1ADORA3ADORA2AADORA2B
Hydrochloric Acid SCHEMBL11797921 0.86 AHCY (0.77) AHCYADORA1ADORA3ADORA2AADORA2B
SCHEMBL11884617 0.85 P2RY1 (0.65) AHCYADORA1ADORA3ADORA2AADORA2B
SCHEMBL4944751 0.84 AHCY (0.69) AHCYADORA1ADORA3ADORA2AADORA2B
SCHEMBL9391567 0.83 DOT1L (0.76) AHCYADORA1ADORA3ADORA2AADORA2B
SCHEMBL5972642 0.83 DOT1L (0.76) AHCYADORA1ADORA3ADORA2AADORA2B
SCHEMBL7898455 0.82 AHCY (0.60) AHCYADORA2AADORA2BKMT2AHIF1A
SCHEMBL9295615 0.80 AHCY (0.71) AHCYADORA1ADORA3ADORA2AADORA2B
SCHEMBL9295626 0.80 AHCY (0.71) AHCYADORA1ADORA3ADORA2AADORA2B
SCHEMBL8003533 0.80 ADORA1 (0.71) AHCYADORA1ADORA3ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37045-E1 N-6 substituted-5′-(N-substituted carboxamide)adenosines as cardiac vasodilator and antihypertensive agents DISCOVERY THERAPEUTICS, INC. 2001-02-06 US disclosed
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
US-5310731-A N-6 substituted-5'-(N-substitutedcarboxamido)adenosines as cardiac vasodilators and antihypertensive agents WHITBY RESEARCH, INC. (US) 1994-05-10 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
EP-0191025-B1 N-6 AND 5'-N SUBSTITUTED CARBOXAMIDOADENOSINE DERIVATIVES AS CARDIAC VASODILATORS AND ANTIHYPERTENSIVE AGENTS, AND PROCESS FOR MAKING SAID COMPOUNDS Whitby Research Incorporated (US) 1990-03-07 EP disclosed
EP-0191025-A1 N-6 AND 5'-N SUBSTITUTED CARBOXAMIDOADENOSINE DERIVATIVES AS CARDIAC VASODILATORS AND ANTIHYPERTENSIVE AGENTS, AND PROCESS FOR MAKING SAID COMPOUNDS. NELSON RES & DEV (US) 1986-08-20 EP disclosed
WO-1986000310-A1 N-6 AND 5'-N SUBSTITUTED CARBOXAMIDOADENOSINE DERIVATIVES AS CARDIAC VASODILATORS AND ANTIHYPERTENSIVE AGENTS, AND PROCESS FOR MAKING SAID COMPOUNDS NELSON RESEARCH AND DEVELOPMENT COMPANY (US) 1986-01-16 WO disclosed