SCHEMBL7497485

SCHEMBL7497485

C=Cc1nc2c([nH]1)c(=O)n(CCC)c(=O)n2CCC

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 1/20 0.61
▸ SIRT3 Q9NTG7 1/20 0.61
▸ SIRT5 Q9NXA8 1/20 0.61
▸ ADORA1 P30542 1/20 0.57

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
SCHEMBL1063544 0.78 SIRT1 (0.68) SIRT1SIRT3SIRT5ADORA1
SCHEMBL9546979 0.78 SIRT1 (0.68) SIRT1SIRT3SIRT5ADORA1
SCHEMBL7396871 0.78 KDM4E (0.62) —
SCHEMBL7396869 0.78 KDM4E (0.62) —
SCHEMBL10420652 0.77 SIRT1 (0.66) SIRT1SIRT3SIRT5ADORA1
SCHEMBL10856290 0.76 ADORA2B (0.61) SIRT1SIRT3SIRT5ADORA1
SCHEMBL8371208 0.76 ADORA2B (0.55) ADORA1
SCHEMBL8371211 0.76 ADORA2B (0.55) ADORA1
SCHEMBL8374180 0.75 ADORA1 (0.59) ADORA1
SCHEMBL8374185 0.75 KDM4E (0.53) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019426-A1 NOVEL A 1? ADENOSINE RECEPTOR AGONISTS AND ANTAGONISTS THE UNIVERSITY OF FLORIDA (US) 2000-07-19 — — EP disclosed
EP-0725782-B1 A 1 ADENOSINE RECEPTOR AGONISTS AND ANTIAGONISTS UNIV FLORIDA (US) 1999-12-15 — — EP disclosed
US-5998387-A N6-(EPOXYCYCLOALKYL) ADENOSINE COMPOUND AND PREPARATION UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 1999-12-07 — — US disclosed
US-5736528-A CARDIOTONIC AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 1998-04-07 — — US disclosed
US-5668139-A XANTHINE DERIVATIVES UNIVERSITY OF FLORDIA RESEARCH FOUNDATION, INC. (US) 1997-09-16 — — US disclosed
WO-1997024363-A1 NOVEL A1 ADENOSINE RECEPTOR AGONISTS AND ANTAGONISTS UNIVERSITY OF FLORIDA (US) 1997-07-10 — — WO disclosed
US-5631260-A Xanthine epoxides as A1 adenosine receptor agonists and antagonists UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 1997-05-20 — — US disclosed
EP-0725782-A1 NOVEL A 1 ADENOSINE RECEPTOR AGONISTS AND ANTIAGONISTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 1996-08-14 — — EP disclosed
US-5446046-A 1,3-dipropyl-8-(3-oxatricyclo(3,1,2,0(2,4-))oct6(7)-Yl)-xanthine used to treat cadiac arrhythmias UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 1995-08-29 — — US disclosed
WO-1995011904-A1 NOVEL A1 ADENOSINE RECEPTOR AGONISTS AND ANTIAGONISTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 1995-05-04 — — WO disclosed
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