SCHEMBL15537360

SCHEMBL15537360

COc1cc(Cl)c(C)n2nc(CCc3nc(N4CCCC4)nn3C)nc12.Cc1c(Cl)cc(C2CC2)c2nc(CCc3nc(N4CCCC4)nn3C)nn12

nearest known ligand 0.86

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 20/20 0.86

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
SCHEMBL15537433 0.93 PDE10A (1.00) PDE10A
SCHEMBL15539375 0.92 PDE10A (1.00) PDE10A
SCHEMBL15548960 0.82 PDE10A (1.00) PDE10A
SCHEMBL15537753 0.81 PDE10A (1.00) PDE10A
SCHEMBL15607662 0.81 PDE10A (1.00) PDE10A
SCHEMBL15551163 0.81 PDE10A (1.00) PDE10A
SCHEMBL15560728 0.81 PDE10A (1.00) PDE10A
SCHEMBL15538977 0.80 PDE10A (1.00) PDE10A
SCHEMBL19561028 0.80 PDE10A (0.78) PDE10A
SCHEMBL15537940 0.79 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855455-A1 TRIAZOLO COMPOUNDS AS PDE10 INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-04-08 — — EP disclosed
WO-2013178572-A1 TRIAZOLO COMPOUNDS AS PDE10 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-12-05 — — WO disclosed
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