SCHEMBL8250707

SCHEMBL8250707

COc1cc2c(N3CCc4[nH]nc(C(C)(C)C)c4C3)ncnc2cc1O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.43
ACHE P22303 5/20 0.43
BACE1 P56817 5/20 0.43
PDGFRB P09619 4/20 0.42
PDGFRA P16234 2/20 0.42
RET P07949 2/20 0.42
KIF5B P33176 1/20 0.42
KDR P35968 1/20 0.42
ENPP1 P22413 4/20 0.40
AURKA O14965 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 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
SCHEMBL14520659 0.94 PDE10A (0.42) PDE10AACHEBACE1PDGFRBPDGFRA
SCHEMBL4761261 0.87 ACHE (0.49) PDE10AACHEBACE1PDGFRBPDGFRA
SCHEMBL14520664 0.86 PDE10A (0.43) PDE10AACHEBACE1PDGFRBRET
SCHEMBL8250709 0.84 ACHE (0.44) PDE10AACHEBACE1PDGFRBPDGFRA
SCHEMBL14520661 0.83 ENPP1 (0.45) PDE10AACHEBACE1PDGFRBPDGFRA
Formic Acid SCHEMBL5470498 0.83 ACHE (0.46) PDE10AACHEBACE1PDGFRBPDGFRA
SCHEMBL8247455 0.82 PDGFRB (0.44) PDE10AACHEBACE1PDGFRBPDGFRA
SCHEMBL14520676 0.81 PDE10A (0.42) PDE10AACHEBACE1PDGFRBRET
SCHEMBL5470503 0.81 ACHE (0.45) PDE10AACHEBACE1PDGFRBPDGFRA
SCHEMBL8247196 0.79 ACHE (0.48) PDE10AACHEBACE1RETKIF5B

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-2007022280-A1 PHOSPHODIESTERASE 10 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2007-02-22 WO disclosed