SCHEMBL3708638

SCHEMBL3708638

COc1cc2ccnc(N3CCOC(c4ccc(Cl)cc4)C3)c2cc1OC

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.72
TNF P01375 1/20 0.44
GSK3B P49841 4/20 0.41
CYP2D6 P10635 1/20 0.41
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR7 P34969 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DRD4 P21917 3/20 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
SCHEMBL3704552 0.84 PDE10A (0.73) PDE10ATNFGSK3BCYP2D6SMN1; SMN2
SCHEMBL1636932 0.84 PDE10A (1.00) PDE10AHTR1AADRA1DHTR7ADRA1A
SCHEMBL3658478 0.81 PDE10A (0.67) PDE10A
SCHEMBL3715617 0.80 PDE10A (0.57) PDE10AGSK3B
SCHEMBL4718645 0.74 PDE10A (0.63) PDE10AGSK3BCYP2D6
SCHEMBL1639261 0.74 PDE10A (0.85) PDE10A
SCHEMBL1638492 0.74 PDE10A (1.00) PDE10AACHEBACE1
SCHEMBL1638956 0.74 PDE10A (0.83) PDE10AHTR1AADRA1DHTR7ADRA1A
SCHEMBL1638127 0.73 PDE10A (1.00) PDE10AACHEBACE1
SCHEMBL1638948 0.73 PDE10A (0.83) PDE10AACHEBACE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203438-A1 CYANOISOQUINOLINE H. Lundbeck A/S (DK) 2010-07-07 EP disclosed
WO-2009036766-A1 CYANOISOQUINOLINE H. LUNDBECK A/S (DK) 2009-03-26 WO disclosed