SCHEMBL7744291

SCHEMBL7744291

CCCCCCn1c(=O)c2c(ncn2O[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n(CCCCCC)c1=O

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 3/20 0.45
▸ PDE4B Q07343 3/20 0.45
▸ PDE4C Q08493 3/20 0.45
▸ PDE4D Q08499 3/20 0.45
▸ ADORA2A P29274 2/20 0.45
▸ ADORA2B P29275 1/20 0.45
▸ ADORA3 P0DMS8 2/20 0.45

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
SCHEMBL7744288 1.00 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7738386 0.99 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7738383 0.99 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7744408 0.96 ADORA3 (0.48) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7744402 0.96 ADORA3 (0.48) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7744308 0.96 ADORA3 (0.48) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7738412 0.92 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7738416 0.92 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7744314 0.92 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7744352 0.89 ADORA3 (0.41) PDE4APDE4BPDE4CPDE4DADORA2A

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
EP-0708781-B1 A 3 ADENOSINE RECEPTOR AGONISTS USA (US) 2001-10-04 — — EP disclosed
US-5773423-A XANTHINE RIBOSIDES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-06-30 — — US disclosed
EP-0708781-A1 A 3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1996-05-01 — — EP disclosed
WO-1995002604-A1 A3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-01-26 — — WO disclosed
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