SCHEMBL7704716

SCHEMBL7704716

Clc1cc(C2CCNCC2)c(OC2CN(c3ccc4ccccc4n3)C2)nn1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.48
PDE2A O00408 2/20 0.48
PDE1B Q01064 2/20 0.48
PDE4D Q08499 2/20 0.48
PDE11A Q9HCR9 1/20 0.48

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 SCHEMBL2631129 0.99 PDE10A (0.47) PDE10APDE2APDE1BPDE4DPDE11A
SCHEMBL15134961 0.84 PDE10A (0.57) PDE10APDE2APDE1BPDE4DPDE11A
SCHEMBL7710364 0.82 PDE10A (0.51) PDE10A
SCHEMBL2630887 0.82 HTR3E (0.44) PDE10APDE2APDE1BPDE4DPDE11A
Hydrochloric Acid SCHEMBL15134924 0.82 PDE10A (0.43) PDE10APDE2APDE1BPDE4DPDE11A
Hydrochloric Acid SCHEMBL15134978 0.82 PDE10A (0.50) PDE10A
SCHEMBL7705229 0.82 PDE10A (0.51) PDE10A
SCHEMBL7702373 0.81 PDE10A (0.60) PDE10A
Hydrochloric Acid SCHEMBL15134872 0.81 PDE10A (0.50) PDE10A
SCHEMBL2630923 0.80 PDE10A (0.54) 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 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