SCHEMBL6673867

SCHEMBL6673867

CCCCCCN1CNC(=O)c2[nH]cnc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 3/20 0.42
GBA1 P04062 2/20 0.39
HPRT1 P00492 1/20 0.36
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
MGLL Q99685 2/20 0.34
FAAH O00519 1/20 0.34
PDE4A P27815 5/20 0.34
ADORA2A P29274 5/20 0.34
PDE4B Q07343 5/20 0.34
PDE4C Q08493 5/20 0.34
PDE4D Q08499 5/20 0.34
ADORA3 P0DMS8 1/20 0.34
ALDH1A1 P00352 1/20 0.33
PLA2G2A P14555 2/20 0.32

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
SCHEMBL6673668 0.99 ADORA2B (0.40) ADORA2BGBA1HPRT1PTGS1PTGS2
SCHEMBL6673897 0.94 PDE4A (0.38) ADORA2BHPRT1PDE4AADORA2APDE4B
SCHEMBL6676174 0.89 HPRT1 (0.38) ADORA2BHPRT1PDE4AADORA2APDE4B
SCHEMBL6679178 0.80 PDE2A (0.38) ADORA2BHPRT1PDE4AADORA2APDE4B
SCHEMBL6672658 0.78 XDH (0.37) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL6675407 0.76 XDH (0.36) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL6672677 0.75 XDH (0.34) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL6674432 0.75 GDA (0.38) ADORA2BHPRT1PDE4AADORA2APDE4B
SCHEMBL6675393 0.71 PNP (0.40) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL6673799 0.70 GDA (0.33) ADORA2BPDE4AADORA2APDE4BPDE4C

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