SCHEMBL7704639

SCHEMBL7704639

c1ccc2nc(N3CCC(Oc4nccnc4C4CCNCC4)CC3)ccc2c1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.62
PDE2A O00408 1/20 0.62
PDE1B Q01064 1/20 0.62
PDE4D Q08499 1/20 0.62

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
SCHEMBL7705779 0.91 PDE10A (0.69) PDE10A
Hydrochloric Acid SCHEMBL2630814 0.90 PDE10A (0.68) PDE10A
SCHEMBL2631101 0.88
SCHEMBL2630756 0.87 PDE2A (0.58) PDE10APDE2APDE1BPDE4D
SCHEMBL2631063 0.84 PDE10A (0.78) PDE10APDE2APDE1BPDE4D
SCHEMBL7709534 0.83 PDE10A (0.86) PDE10APDE2APDE1BPDE4D
SCHEMBL2631013 0.82
SCHEMBL2631011 0.82
SCHEMBL2631155 0.82
SCHEMBL2630926 0.80 PDE2A (0.66) 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 3 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-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