SCHEMBL20059906

SCHEMBL20059906

COc1ccc([C@@H]2CC2COc2cc(NCc3ccccn3)c(=O)n(C)n2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 1.00

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
SCHEMBL16091988 1.00 PDE10A (1.00) PDE10A
SCHEMBL16091997 0.90 PDE10A (1.00) PDE10A
SCHEMBL20059568 0.90 PDE10A (1.00) PDE10A
SCHEMBL16092180 0.89 PDE10A (1.00) PDE10A
SCHEMBL16092144 0.89 PDE10A (1.00) PDE10A
SCHEMBL16092000 0.89 PDE10A (1.00) PDE10A
SCHEMBL17439724 0.88 PDE10A (1.00) PDE10A
SCHEMBL16092005 0.88 PDE10A (0.84) PDE10A
SCHEMBL20059828 0.87 PDE10A (1.00) PDE10A
SCHEMBL16092193 0.87 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