SCHEMBL7701101

SCHEMBL7701101

CN1CCC(c2nccnc2N2CCC(CO)CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 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
SCHEMBL2596217 0.84 PDE10A (0.59) PDE10A
Hydrochloric Acid SCHEMBL2596087 0.83 PDE10A (0.58) PDE10A
SCHEMBL9988190 0.83 PDE10A (0.60) PDE10A
SCHEMBL2590729 0.82 PDE10A (0.57) PDE10A
Hydrochloric Acid SCHEMBL2596301 0.81 PDE10A (0.56) PDE10A
SCHEMBL2596093 0.79 PDE10A (0.54) PDE10A
SCHEMBL9989484 0.77 PDE10A (0.60) PDE10A
SCHEMBL7701086 0.77 PDE10A (1.00) PDE10A
SCHEMBL2595716 0.76 PDE10A (1.00) PDE10A
SCHEMBL7694574 0.74 PDE10A (1.00) 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-2011143365-A1 NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2011-11-17 WO disclosed