SCHEMBL16454441

SCHEMBL16454441

CS(=O)(=O)[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
SCHEMBL2596195 1.00 PDE10A (1.00) PDE10A
SCHEMBL16454488 1.00 PDE10A (1.00) PDE10A
SCHEMBL16454451 0.89 PDE10A (1.00) PDE10A
SCHEMBL16454499 0.89 PDE10A (1.00) PDE10A
SCHEMBL2593914 0.89 PDE10A (1.00) PDE10A
SCHEMBL2595978 0.86 PDE10A (0.89) PDE10A
SCHEMBL2595851 0.86 PDE10A (0.89) PDE10A
SCHEMBL2595958 0.86 PDE10A (0.89) PDE10A
SCHEMBL16454447 0.85 PDE10A (1.00) PDE10A
SCHEMBL16454517 0.85 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