SCHEMBL5344252

SCHEMBL5344252

CCOc1ccc(C2=NOC3(CCN(CC)CC3)C2)cc1OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 13/20 0.49
PDE4B Q07343 12/20 0.49
PDE4C Q08493 11/20 0.49
PDE4D Q08499 11/20 0.49
PDE7A Q13946 1/20 0.42
SSTR5 P35346 6/20 0.41
PDE3A Q14432 1/20 0.38

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
SCHEMBL3674617 0.91 PDE4A (0.58) PDE4APDE4BPDE4CPDE4D
SCHEMBL3680525 0.84 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL3679762 0.83 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL3679312 0.82 PDE4A (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL3679079 0.82 PDE4A (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL3675799 0.82 PDE4D (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL3673955 0.80 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL3676982 0.80 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL3671444 0.79 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DSSTR5
SCHEMBL4871798 0.79 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869054-A2 CONDENSED ISOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE TYPE-IV Ranbaxy Laboratories Limited (IN) 2007-12-26 EP disclosed
WO-2006085212-A2 CONDENSED ISOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES LIMITED (IN) 2006-08-17 WO disclosed