SCHEMBL7709534

SCHEMBL7709534

CC(=O)N1CCC(c2nccnc2OC2CCN(c3ccc4ccccc4n3)CC2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.86
PDE2A O00408 1/20 0.68
PDE1B Q01064 1/20 0.68
PDE4D Q08499 1/20 0.68

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
SCHEMBL2630893 0.93 PDE10A (1.00) PDE10APDE2APDE1BPDE4D
SCHEMBL2630781 0.88 PDE10A (0.71) PDE10A
SCHEMBL2631166 0.88 PDE10A (0.75) PDE10APDE2APDE1BPDE4D
SCHEMBL2630953 0.88 PDE10A (0.68) PDE10A
SCHEMBL2630982 0.86 PDE10A (0.71) PDE10APDE2APDE1BPDE4D
SCHEMBL2630830 0.85 PDE10A (0.63) PDE10A
SCHEMBL2630987 0.85 PDE10A (0.62) PDE10A
SCHEMBL15134970 0.84 PDE10A (0.84) PDE10APDE2APDE1BPDE4D
SCHEMBL7709454 0.84 PDE10A (0.61) PDE10A
SCHEMBL2630828 0.83 PDE10A (1.00) PDE10APDE2APDE1BPDE4D

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