SCHEMBL16454569

SCHEMBL16454569

C[C@@H](O)C1CCN(c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)CC1

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
SCHEMBL16454643 1.00 PDE10A (1.00) PDE10A
SCHEMBL7699734 1.00 PDE10A (1.00) PDE10A
SCHEMBL2593559 0.89 PDE10A (1.00) PDE10A
SCHEMBL2590442 0.88 PDE10A (1.00) PDE10A
SCHEMBL2595848 0.88 PDE10A (1.00) PDE10A
SCHEMBL2596126 0.88 PDE10A (1.00) PDE10A
SCHEMBL2593910 0.87 PDE10A (1.00) PDE10A
SCHEMBL7702346 0.87 PDE10A (1.00) PDE10A
SCHEMBL2595833 0.87 PDE10A (1.00) PDE10A
SCHEMBL2595844 0.87 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