SCHEMBL7315729

SCHEMBL7315729

CCn1nc(-c2cccc(-c3ccc(CCC(=O)NCCN4CCOCC4)cc3)c2)cc(Nc2cccc3ncccc23)c1=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.49
ADORA2A P29274 4/20 0.49
ADORA1 P30542 4/20 0.49
ADORA2B P29275 3/20 0.49
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
AVPR1B P47901 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL7315642 0.93 PDE4B (0.56) PDE4BADORA2AADORA1ADORA2BCYP3A4
SCHEMBL7312351 0.89 PDE4B (0.58) PDE4BADORA2AADORA1ADORA2B
SCHEMBL7309072 0.88 PDE4B (0.64) PDE4BADORA2AADORA1ADORA2BCYP2C9
SCHEMBL7317541 0.87 PDE4B (0.63) PDE4BADORA2AADORA1ADORA2BCYP2D6
SCHEMBL7311271 0.86 PDE4B (0.64) PDE4BADORA2AADORA1ADORA2BCYP2D6
SCHEMBL7303361 0.84 PDE4B (0.49) PDE4BADORA2AADORA1ADORA2B
SCHEMBL7319231 0.84 PDE4B (0.57) PDE4BADORA2AADORA1ADORA2BHTT
SCHEMBL7315323 0.83 PDE4B (0.47) PDE4BADORA2AADORA1ADORA2B
SCHEMBL7314416 0.83 PDE4B (0.43) PDE4BADORA2AADORA1ADORA2BHTT
SCHEMBL7307160 0.82 PDE4B (0.57) PDE4BADORA2AADORA1ADORA2B

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