SCHEMBL5133199

SCHEMBL5133199

COc1ccc(C2=NOC3(CCN(C)C3)C2)cc1OC1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.57
PDE4B Q07343 14/20 0.57
PDE4C Q08493 14/20 0.57
PDE4D Q08499 14/20 0.57
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43

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
SCHEMBL3675799 0.87 PDE4D (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL3667700 0.87 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL3549578 0.87 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL3673863 0.87 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL3547514 0.86 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL3679312 0.86 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL3672014 0.85 PDE4B (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL3674617 0.85 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL3667766 0.84 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL3677039 0.84 PDE4B (0.58) PDE4APDE4BPDE4CPDE4D

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-1948167-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP claimed
WO-2007045980-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 WO claimed