SCHEMBL8443541

SCHEMBL8443541

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.59
ADORA1 P30542 7/20 0.59
ADORA2B P29275 5/20 0.59
ADORA2A P29274 5/20 0.59
ALOX15 P16050 2/20 0.45
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
AVPR1B P47901 1/20 0.44
USP2 O75604 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7315521 0.91 PDE4B (0.68) PDE4BADORA1ADORA2BADORA2AALOX15
SCHEMBL7308812 0.86 PDE4B (0.60) PDE4BADORA1ADORA2BADORA2AALOX15
SCHEMBL2825659 0.82 PDE4B (0.87) PDE4BADORA1ADORA2BADORA2A
SCHEMBL7315642 0.82 PDE4B (0.56) PDE4BADORA1ADORA2BADORA2AALOX15
SCHEMBL2821703 0.81 PDE4B (0.86) PDE4BADORA1ADORA2BADORA2A
SCHEMBL13291059 0.78 PDE4B (0.80) PDE4BADORA1ADORA2BADORA2A
SCHEMBL2826694 0.77 PDE4B (0.81) PDE4BADORA1ADORA2BADORA2A
SCHEMBL2826196 0.75 PDE4B (0.85) PDE4BADORA1ADORA2BADORA2A
SCHEMBL7315729 0.75 PDE4B (0.49) PDE4BADORA1ADORA2BADORA2ACYP3A4
SCHEMBL2823596 0.74 PDE4B (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 EP disclosed