SCHEMBL8358690

SCHEMBL8358690

CCc1nn(CC2CC2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.59
PDE4B Q07343 19/20 0.59
PDE4C Q08493 19/20 0.59
PDE4D Q08499 19/20 0.59
SLC22A12 Q96S37 1/20 0.46
ABCB11 O95342 1/20 0.46

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
SCHEMBL8326256 0.83 PDE4A (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL5964482 0.83 PDE4A (0.63) PDE4APDE4BPDE4CPDE4D
SCHEMBL8325842 0.82 PDE4A (0.62) PDE4APDE4BPDE4CPDE4D
SCHEMBL8326260 0.80 PDE4D (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL3616599 0.79 SLC22A12 (0.49) SLC22A12
SCHEMBL7984640 0.79 SLC22A12 (0.61) SLC22A12
SCHEMBL7970829 0.78 SLC22A12 (0.47) SLC22A12
SCHEMBL3604440 0.78 SLC22A12 (0.43) SLC22A12
SCHEMBL7981992 0.77 PDE4A (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL1554109 0.74 PDE4A (1.00) 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-2003024488-A2 COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-03-27 WO disclosed