SCHEMBL16639194

SCHEMBL16639194

C#C[C@H]1CC[C@@H](Nc2cc(N3CC[C@@H](F)C3)nc3cc(-c4nc5cc(F)ccc5nc4C)nn23)CC1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 17/20 0.76
PDE6D O43924 1/20 0.66
PDE5A O76074 1/20 0.66
PDE6A P16499 1/20 0.66
PDE6G P18545 1/20 0.66
PDE4A P27815 1/20 0.66
PDE6B P35913 1/20 0.66
PDE6C P51160 1/20 0.66
PDE4B Q07343 1/20 0.66
PDE4C Q08493 1/20 0.66
PDE4D Q08499 1/20 0.66
PDE6H Q13956 1/20 0.66
GPR6 P46095 3/20 0.31
CYP2D6 P10635 2/20 0.30

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
SCHEMBL14233778 0.91 PDE10A (0.80) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL16639167 0.90 PDE10A (0.82) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL14211821 0.89 PDE10A (0.77) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL6900019 0.88 PDE10A (0.79) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL16639160 0.87 PDE10A (0.75) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL14119840 0.86 PDE10A (1.00) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL14211893 0.86 PDE10A (1.00) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL2444062 0.86 PDE10A (1.00) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL2444063 0.86 PDE10A (1.00) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL14211823 0.86 PDE10A (1.00) PDE10APDE6DPDE5APDE6APDE6G

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
EP-2539342-B1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2015-04-15 EP disclosed