SCHEMBL8248452

SCHEMBL8248452

COc1cc2ncnc(N3Cc4cc(C(C)O)c(OC)cc4C[C@H]3C)c2cc1OC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.45
BACE1 P56817 5/20 0.45
PDE10A Q9Y233 3/20 0.42
PDE1C Q14123 2/20 0.41
PDGFRB P09619 2/20 0.40
PDGFRA P16234 2/20 0.40
AURKA O14965 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
ENPP1 P22413 4/20 0.40
EGFR P00533 2/20 0.40
CSF1R P07333 1/20 0.39
MAPK1 P28482 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
SCHEMBL8241316 0.97 ACHE (0.43) ACHEBACE1PDE10APDE1CPDGFRB
SCHEMBL4761434 0.89 ACHE (0.54) ACHEBACE1PDE10APDE1CPDE3B
SCHEMBL4761466 0.89 ACHE (0.54) ACHEBACE1PDE10APDE1CPDE3B
SCHEMBL4761654 0.89 ACHE (0.54) ACHEBACE1PDE10APDE1CPDE3B
SCHEMBL8247271 0.88 ACHE (0.37) ACHEBACE1PDE10APDE1CPDGFRB
SCHEMBL4402335 0.85 ENPP1 (0.50) ACHEBACE1PDE10APDE1CPDGFRB
SCHEMBL5466078 0.76 ACHE (0.50) ACHEBACE1PDE10APDE1CPDGFRB
SCHEMBL8251276 0.68 ACHE (0.39) ACHEBACE1PDE10APDE1CPDGFRB
SCHEMBL4761922 0.68 ACHE (0.55) ACHEBACE1PDE10APDE1CENPP1
SCHEMBL4762524 0.68 ACHE (0.52) ACHEBACE1PDE10APDE1CAURKA

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