SCHEMBL7320289

SCHEMBL7320289

CCn1nc(-c2cccc(-c3cccc(C(=O)NC4CCN(C(N)=O)CC4)c3)c2)cc(Nc2cccc3ncccc23)c1=O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.55
ADORA1 P30542 10/20 0.52
ADORA2B P29275 6/20 0.52
ADORA2A P29274 6/20 0.52
CRHR1 P34998 1/20 0.44

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
SCHEMBL7302079 0.94 PDE4B (0.55) PDE4BADORA1ADORA2BADORA2ACRHR1
SCHEMBL7306806 0.93 PDE4B (0.62) PDE4BADORA1ADORA2BADORA2ACRHR1
SCHEMBL7308822 0.91 PDE4B (0.59) PDE4BADORA1ADORA2BADORA2ACRHR1
SCHEMBL7308447 0.91 PDE4B (0.59) PDE4BADORA1ADORA2BADORA2ACRHR1
SCHEMBL12027164 0.90 PDE4B (0.52) PDE4BADORA1ADORA2BADORA2ACRHR1
SCHEMBL7311580 0.89 PDE4B (0.60) PDE4BADORA1ADORA2BADORA2ACRHR1
SCHEMBL7305094 0.89 PDE4B (0.60) PDE4BADORA1ADORA2BADORA2ACRHR1
SCHEMBL7310479 0.87 PDE4B (0.54) PDE4BADORA1ADORA2BADORA2ACRHR1
SCHEMBL7308807 0.87 PDE4B (0.54) PDE4BADORA1ADORA2BADORA2ACRHR1
SCHEMBL7315409 0.86 PDE4B (0.55) PDE4BADORA1ADORA2BADORA2ACRHR1

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