SCHEMBL7704733

SCHEMBL7704733

CC(=O)N1CC=C(c2nccnc2OC2CNC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.44
GRIA1 P42261 1/20 0.39
QDPR P09417 2/20 0.39

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
Hydrochloric Acid SCHEMBL15134907 0.99 PDE10A (0.43) PDE10AGRIA1QDPR
Hydrochloric Acid SCHEMBL15134940 0.84 PDE10A (0.54) PDE10A
SCHEMBL7707672 0.84 PDE10A (0.54) PDE10A
SCHEMBL2631209 0.81 PDE10A (0.45) PDE10A
SCHEMBL2631242 0.79 PDE10A (0.40) PDE10A
SCHEMBL7705874 0.79 PDE10A (0.39) PDE10A
SCHEMBL15134969 0.78 PDE10A (0.42) PDE10A
SCHEMBL7704700 0.78 PDE10A (0.46) PDE10A
SCHEMBL15134968 0.77 PDE10A (0.43) PDE10A
SCHEMBL2630921 0.77 GRM5 (0.45) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376450-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2016-06-28 US disclosed
US-9376450-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2016-06-28 US disclosed
US-8497265-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2013-07-30 US disclosed
US-8497265-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2013-07-30 US disclosed
WO-2011143495-A1 HETEROARYLOXYHETEROCYCLYL COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. (US) 2011-11-17 WO disclosed