SCHEMBL7863620

SCHEMBL7863620

Cc1cccc2c1C(=O)N(CCc1nc3ccccc3c(=O)n1-c1ccc(O)cc1)C2=O

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 18/20 0.81
ALDH1A1 P00352 2/20 0.61

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
SCHEMBL409455 0.90 PDE10A (1.00) PDE10A
SCHEMBL410859 0.86 PDE10A (1.00) PDE10A
SCHEMBL7856900 0.83 PDE10A (0.81) PDE10AALDH1A1
SCHEMBL7808391 0.82 PDE10A (0.86) PDE10A
SCHEMBL410399 0.82 PDE10A (1.00) PDE10A
SCHEMBL411057 0.80 PDE10A (1.00) PDE10A
SCHEMBL409914 0.79 PDE10A (1.00) PDE10A
SCHEMBL410839 0.79 PDE10A (1.00) PDE10A
SCHEMBL410931 0.77 PDE10A (1.00) PDE10A
SCHEMBL409884 0.77 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
WO-2010138577-A1 RADIOLABELED PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-12-02 WO disclosed