SCHEMBL4675156

SCHEMBL4675156

CCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2cc(OC)c3ncccc3c2)c1=O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.59
ADRA1A P35348 6/20 0.43
ADRA1B P35368 6/20 0.43
ADRA1D P25100 5/20 0.43
HTR1A P08908 4/20 0.43
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL4678679 0.88 PDE4B (0.61) PDE4BADRA1AADRA1BADRA1DHTR1A
SCHEMBL1652438 0.85 PDE4B (0.54) PDE4BACHEBACE1
SCHEMBL4708766 0.84 PDE4B (0.70) PDE4BADRA1AADRA1BADRA1DHTR1A
SCHEMBL4678908 0.83 PDE4B (0.67) PDE4BSMN1; SMN2
SCHEMBL4705575 0.82 PDE4B (0.70) PDE4BADRA1AADRA1BADRA1DHTR1A
SCHEMBL4708054 0.81 PDE4B (0.69) PDE4BADRA1AADRA1BADRA1DHTR1A
SCHEMBL3039579 0.81 PDE4B (0.67) PDE4BSMN1; SMN2
SCHEMBL3028554 0.81 PDE4B (0.61) PDE4BSMN1; SMN2
SCHEMBL3028418 0.81 PDE4B (0.56) PDE4BACHEBACE1SMN1; SMN2
SCHEMBL4706461 0.81 PDE4B (0.74) PDE4BADRA1AADRA1BADRA1DHTR1A

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-1575926-B1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL LAB (ES) 2008-03-05 EP claimed