SCHEMBL7315507

SCHEMBL7315507

CCn1nc(-c2cccc(-c3cccc(CC(=O)NCCN4CCCC4)c3)c2)cc(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.64
ADORA1 P30542 14/20 0.64
ADORA2A P29274 11/20 0.64
ADORA2B P29275 10/20 0.64

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
SCHEMBL7307038 0.95 PDE4B (0.71) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7315959 0.88 PDE4B (0.71) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7318150 0.87 PDE4B (0.65) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7315841 0.85 PDE4B (0.67) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7319231 0.84 PDE4B (0.57) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2820999 0.83 PDE4B (0.89) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2824900 0.83 PDE4B (0.91) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7306242 0.83 PDE4B (0.72) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7315251 0.82 PDE4B (0.66) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7308812 0.81 PDE4B (0.60) PDE4BADORA1ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2394998-A1 3-(5-Amino-6-oxo-1,6-dihydropyridazin-3-yl)-biphenyl derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2011-12-14 EP claimed
EP-2394998-A1 3-(5-Amino-6-oxo-1,6-dihydropyridazin-3-yl)-biphenyl derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2011-12-14 EP disclosed
EP-2394998-A1 3-(5-Amino-6-oxo-1,6-dihydropyridazin-3-yl)-biphenyl derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2011-12-14 EP disclosed