SCHEMBL902858

SCHEMBL902858

OC[C@@H]1C[C@H]1c1ccc2ncccc2n1

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 0.44

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
SCHEMBL10082426 1.00 PDE10A (0.44) PDE10A
SCHEMBL896975 1.00 PDE10A (0.44) PDE10A
SCHEMBL10082424 0.85 PDE10A (0.48) PDE10A
SCHEMBL10086338 0.81 PDE10A (0.45) PDE10A
SCHEMBL901926 0.80 PDE10A (0.49) PDE10A
SCHEMBL14977342 0.74 PDE10A (0.44) PDE10A
SCHEMBL17799051 0.74 PDE10A (0.44) PDE10A
SCHEMBL901337 0.74 PDE10A (0.44) PDE10A
SCHEMBL902793 0.72 ALDH1A1 (0.43) PDE10A
SCHEMBL10086282 0.71 PDE10A (0.40) 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
WO-2012044561-A2 2-ALKOXY PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed