SCHEMBL20059549

SCHEMBL20059549

Cn1ccc([C@H]2C[C@@H]2COc2cc(NCc3ccc(O)cc3)c(=O)n(C)n2)n1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 0.82

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
SCHEMBL16092157 0.90 PDE10A (1.00) PDE10A
SCHEMBL20059636 0.88 PDE10A (1.00) PDE10A
SCHEMBL16092044 0.88 PDE10A (1.00) PDE10A
SCHEMBL16050122 0.88 PDE10A (1.00) PDE10A
SCHEMBL16050045 0.87 PDE10A (0.83) PDE10A
SCHEMBL20059890 0.84 PDE10A (1.00) PDE10A
SCHEMBL16092046 0.84 PDE10A (1.00) PDE10A
SCHEMBL20059886 0.84 PDE10A (1.00) PDE10A
SCHEMBL20059663 0.84 PDE10A (1.00) PDE10A
SCHEMBL16049967 0.84 PDE10A (1.00) PDE10A

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-2968324-B1 SUBSTITUTED PYRIDAZINONE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2018-04-18 EP disclosed