SCHEMBL16454499

SCHEMBL16454499

O=S(=O)(c1ccccc1)[C@@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1

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
SCHEMBL16454451 1.00 PDE10A (1.00) PDE10A
SCHEMBL2593914 1.00 PDE10A (1.00) PDE10A
SCHEMBL2596195 0.89 PDE10A (1.00) PDE10A
SCHEMBL16454441 0.89 PDE10A (1.00) PDE10A
SCHEMBL16454488 0.89 PDE10A (1.00) PDE10A
SCHEMBL2590742 0.83 PDE10A (1.00) PDE10A
SCHEMBL16454455 0.83 PDE10A (1.00) PDE10A
SCHEMBL16454484 0.83 PDE10A (1.00) PDE10A
SCHEMBL2590564 0.82 PDE10A (1.00) PDE10A
SCHEMBL7702302 0.82 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
US-8957073-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. 2015-02-17 US claimed