SCHEMBL7752296

SCHEMBL7752296

CCc1nc(N)n(Cc2ccc(OC)c(OC3CCCC3)c2)c2ncnc1-2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.42
PDE4A P27815 13/20 0.42
PDE4C Q08493 12/20 0.42
PDE4D Q08499 12/20 0.42
SSTR5 P35346 1/20 0.41
NTRK1 P04629 1/20 0.39
CSF1R P07333 1/20 0.39
NTRK2 Q16620 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL8978342 0.85 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DSSTR5
Hydrochloric Acid SCHEMBL7032971 0.85 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DSSTR5
SCHEMBL7380708 0.78 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL6675072 0.74 PDE4B (0.51) PDE4BPDE4APDE4CPDE4D
SCHEMBL1388089 0.73 PDE4B (0.47) PDE4BPDE4APDE4CPDE4D
Hydrochloric Acid SCHEMBL6154633 0.72 PDE4B (0.48) PDE4BPDE4APDE4CPDE4D
SCHEMBL3976102 0.71 PDE4B (0.57) PDE4BPDE4APDE4CPDE4D
SCHEMBL27598340 0.69 PDE4A (0.41) PDE4BPDE4APDE4CPDE4DSSTR5
SCHEMBL2466398 0.69 PDE4B (0.48) PDE4BPDE4APDE4CPDE4D
SCHEMBL30074724 0.69 PDE4A (0.53) PDE4BPDE4APDE4CPDE4D

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
US-6310205-B1 Hypoxathine compounds EURO-CELTIQUE, S.A. (LU) 2001-10-30 US disclosed
EP-0912575-A4 IMPROVED METHODS FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY EURO CELTIQUE SA (LU) 2001-04-25 EP disclosed
EP-0912575-A1 IMPROVED METHODS FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY Euro-Celtique S.A. (LU) 1999-05-06 EP disclosed
WO-1997046561-A1 IMPROVED METHODS FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY EURO-CELTIQUE, S.A. (LU) 1997-12-11 WO disclosed