SCHEMBL2822647

SCHEMBL2822647

O=C(Cc1ccc(-c2cccc(-c3cc(NC(=O)Nc4c(Cl)cncc4Cl)c(=O)n(CC4CC4)n3)c2)cc1)NCCN1CCOCC1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.73
ADORA1 P30542 14/20 0.73
ADORA2A P29274 11/20 0.73
ADORA2B P29275 10/20 0.73

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
SCHEMBL2829421 0.93 PDE4B (0.83) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2825980 0.91 PDE4B (0.87) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2823309 0.87 PDE4B (0.80) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2824603 0.86 PDE4B (0.81) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2825078 0.85 PDE4B (0.99) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2823596 0.84 PDE4B (1.00) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2826255 0.84 PDE4B (0.89) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2821710 0.84 PDE4B (0.83) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2824879 0.83 PDE4B (0.74) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2825872 0.83 PDE4B (0.83) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010069504-A1 (3-OXO)PYRIDIN-4-YLUREA DERIVATIVES AS PDE4 INHIBITORS ALMIRALL, S.A. (ES) 2010-06-24 WO claimed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 EP claimed
WO-2010069504-A1 (3-OXO)PYRIDIN-4-YLUREA DERIVATIVES AS PDE4 INHIBITORS ALMIRALL, S.A. (ES) 2010-06-24 WO disclosed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 EP disclosed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 EP disclosed