SCHEMBL8219672

SCHEMBL8219672

COc1cc(O)cc(C2CN(c3ncnc4cc(OC)c(OC)cc34)CCO2)c1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 17/20 0.69
PDE3A Q14432 6/20 0.49
PDE3B Q13370 5/20 0.49
ACHE P22303 1/20 0.48
BACE1 P56817 1/20 0.48
HTR1A P08908 1/20 0.48

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
SCHEMBL1637122 0.93 PDE10A (0.76) PDE10APDE3APDE3BACHEBACE1
SCHEMBL1639261 0.86 PDE10A (0.85) PDE10APDE3APDE3B
SCHEMBL1638956 0.84 PDE10A (0.83) PDE10APDE3APDE3BACHEBACE1
SCHEMBL1638948 0.83 PDE10A (0.83) PDE10APDE3APDE3BACHEBACE1
SCHEMBL1638492 0.82 PDE10A (1.00) PDE10APDE3APDE3BACHEBACE1
SCHEMBL1636932 0.81 PDE10A (1.00) PDE10APDE3APDE3BACHEBACE1
SCHEMBL1638127 0.81 PDE10A (1.00) PDE10APDE3AACHEBACE1
SCHEMBL8225024 0.81 PDE10A (0.75) PDE10APDE3APDE3BACHEBACE1
SCHEMBL1636946 0.79 PDE10A (1.00) PDE10APDE3APDE3BHTR1A
SCHEMBL28776954 0.79 PDE10A (0.79) PDE10APDE3APDE3BACHEBACE1

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
WO-2008006372-A1 (3-ARYL-PIPERAZIN-1-YL), (2-ARYL-MORPHOLIN-4-YL) AND (2-ARYL- THIOMORPHOLIN-4-YL) DERIVATIVES OF 6,7-DIALKOXYQUINAZOLINE, 6,7- DIALKOXYPHTALAZINE AND 6,7-DIALKOXYISOQUINOLINE H. LUNDBECK A/S (DK) 2008-01-17 WO disclosed