SCHEMBL6686882

SCHEMBL6686882

COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(-c3cccc(O)c3)c2c1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.79
PDE4B Q07343 17/20 0.79
PDE4C Q08493 17/20 0.79
PDE4D Q08499 17/20 0.79
CYP17A1 P05093 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40

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
SCHEMBL6586085 0.88 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL4699816 0.86 PDE4A (0.76) PDE4APDE4BPDE4CPDE4D
SCHEMBL6683024 0.85 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DCYP11B1
SCHEMBL6681398 0.84 PDE4A (0.72) PDE4APDE4BPDE4CPDE4D
SCHEMBL6683381 0.83 PDE4A (0.71) PDE4APDE4BPDE4CPDE4D
SCHEMBL6681005 0.82 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL6683041 0.82 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL6681009 0.82 PDE4B (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL6589078 0.81 PDE4A (0.72) PDE4APDE4BPDE4CPDE4D
SCHEMBL6587900 0.81 PDE4A (0.72) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004056798-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 2004-07-08 WO disclosed