SCHEMBL14570529

SCHEMBL14570529

COc1ccc(-c2cncc(C(N)=O)c2)cc1OC1CC2CCC1C2

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.77
PDE4A P27815 12/20 0.77
PDE4C Q08493 12/20 0.77
PDE4D Q08499 12/20 0.77
CHRNB4 P30926 2/20 0.53
CHRNA3 P32297 2/20 0.53
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
IRAK4 Q9NWZ3 2/20 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
SCHEMBL7360400 0.76 PDE4B (0.67) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7359192 0.76 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7355649 0.76 PDE4B (0.82) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7368338 0.76 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7333823 0.76 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL10780014 0.74 PDE4B (0.65) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL14597364 0.74 PDE4A (0.57) PDE4BPDE4APDE4CPDE4DCYP11B1
SCHEMBL7358558 0.74 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7369703 0.73 PDE4B (0.67) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7366624 0.73 PDE4B (0.62) PDE4BPDE4APDE4CPDE4DPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196080-B2 Respiratory system disordeers; chronic obstructive pulminary disease ASTELLAS PHARMA INC. (JP) 2007-03-27 US disclosed