SCHEMBL7315642

SCHEMBL7315642

CCn1nc(-c2cccc(-c3ccc(CCC(=O)NCCN4CCCCC4)cc3)c2)cc(Nc2cccc3ncccc23)c1=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.56
ADORA1 P30542 7/20 0.56
ADORA2B P29275 5/20 0.56
ADORA2A P29274 5/20 0.56
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
AVPR1B P47901 1/20 0.38
HDAC3 O15379 1/20 0.38

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
SCHEMBL7315729 0.93 PDE4B (0.49) PDE4BADORA1ADORA2BADORA2ACYP3A4
SCHEMBL7311271 0.93 PDE4B (0.64) PDE4BADORA1ADORA2BADORA2ACYP2D6
SCHEMBL7317541 0.92 PDE4B (0.63) PDE4BADORA1ADORA2BADORA2ACYP2D6
SCHEMBL7307160 0.89 PDE4B (0.57) PDE4BADORA1ADORA2BADORA2A
SCHEMBL7319231 0.89 PDE4B (0.57) PDE4BADORA1ADORA2BADORA2AMAPT
SCHEMBL7305549 0.87 PDE4B (0.63) PDE4BADORA1ADORA2BADORA2A
SCHEMBL7303361 0.85 PDE4B (0.49) PDE4BADORA1ADORA2BADORA2A
SCHEMBL7315323 0.85 PDE4B (0.47) PDE4BADORA1ADORA2BADORA2A
SCHEMBL7314416 0.84 PDE4B (0.43) PDE4BADORA1ADORA2BADORA2A
SCHEMBL7312351 0.82 PDE4B (0.58) PDE4BADORA1ADORA2BADORA2A

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