SCHEMBL6676174

SCHEMBL6676174

CCCN1CNC(=O)c2[nH]cnc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.38
PDE4A P27815 16/20 0.37
PDE4B Q07343 16/20 0.37
PDE4C Q08493 16/20 0.37
PDE4D Q08499 16/20 0.37
ADORA2A P29274 11/20 0.37
ADORA2B P29275 9/20 0.37
ADORA3 P0DMS8 2/20 0.35
HPGD P15428 1/20 0.35
ADORA1 P30542 1/20 0.35
BLM P54132 1/20 0.35
PDE3A Q14432 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GDA Q9Y2T3 1/20 0.34

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
SCHEMBL6673897 0.91 PDE4A (0.38) HPRT1PDE4APDE4BPDE4CPDE4D
SCHEMBL6673668 0.90 ADORA2B (0.40) HPRT1PDE4APDE4BPDE4CPDE4D
SCHEMBL6673867 0.89 ADORA2B (0.42) HPRT1PDE4APDE4BPDE4CPDE4D
SCHEMBL6673121 0.88 GDA (0.36) HPRT1PDE4APDE4BPDE4CPDE4D
SCHEMBL6679178 0.84 PDE2A (0.38) HPRT1PDE4APDE4BPDE4CPDE4D
SCHEMBL6674159 0.81 GDA (0.32) HPRT1ADORA2AADORA2BGDA
SCHEMBL6674432 0.79 GDA (0.38) HPRT1PDE4APDE4BPDE4CPDE4D
SCHEMBL1866525 0.79 HPRT1 (0.58) HPRT1PDE4APDE4BPDE4CPDE4D
SCHEMBL6673799 0.75 GDA (0.33) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL6672677 0.73 XDH (0.34) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202628-B1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2004-10-13 EP claimed
EP-1202628-A4 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2002-10-30 EP claimed
EP-1202628-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS Euro-Celtique S.A. (LU) 2002-05-08 EP claimed
WO-2001011967-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2001-02-22 WO claimed
EP-1202628-B1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2004-10-13 EP disclosed
EP-1202628-A4 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2002-10-30 EP disclosed
EP-1202628-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS Euro-Celtique S.A. (LU) 2002-05-08 EP disclosed
WO-2001011967-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2001-02-22 WO disclosed