SCHEMBL4820476

SCHEMBL4820476

CCc1cccc(CC)c1-c1cc(Oc2ccc(C(C)=O)c(O)c2)c(CN2CCOC(C)(C)C2)c(C)n1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAOB P27338 19/20 0.35
MAOA P21397 3/20 0.35
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL1326756 0.94 SCN9A (0.34) PDE10A
SCHEMBL1327259 0.86 SCN9A (0.37) PDE10A
SCHEMBL1327051 0.84 PDE10A (0.34) MAOBPDE10A
SCHEMBL1328544 0.84 SCN9A (0.37)
SCHEMBL1327910 0.83 SCN9A (0.43)
SCHEMBL1327605 0.82 C5AR1 (0.36) PDE10A
SCHEMBL2143361 0.81 MAPT (0.36)
SCHEMBL1329062 0.81 PDE10A (0.34) PDE10A
SCHEMBL2141113 0.81 ALDH1A1 (0.35) MAOB
SCHEMBL2138201 0.79 CBLB (0.33) 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
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US disclosed