SCHEMBL3658183

SCHEMBL3658183

CCc1nc(C)c2c(NS(C)(=O)=O)nc3ccc(F)cc3n12.CCc1nc(C)c2c(NS(C)(=O)=O)nc3ccccc3n12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 12/20 0.55
PDE2A O00408 7/20 0.46
PDE5A O76074 2/20 0.46
PDE3A Q14432 2/20 0.46
PDE11A Q9HCR9 1/20 0.46
ADORA3 P0DMS8 2/20 0.44
TP53 P04637 2/20 0.42
PDE6D O43924 1/20 0.41
PDE8A O60658 1/20 0.41
PDE9A O76083 1/20 0.41
PDE8B O95263 1/20 0.41
PDE6A P16499 1/20 0.41
PDE6G P18545 1/20 0.41
PDE4A P27815 1/20 0.41
PDE6B P35913 1/20 0.41
PDE6C P51160 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41

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
SCHEMBL3795533 0.95 PDE10A (0.60) PDE10APDE2APDE5APDE3APDE11A
SCHEMBL3661029 0.91 PDE10A (0.61) PDE10APDE2APDE5APDE3APDE11A
SCHEMBL3662037 0.87 PDE10A (0.61) PDE10APDE2APDE5APDE3APDE11A
SCHEMBL3658185 0.85 PDE10A (0.41) PDE10APDE2APDE5APDE3APDE11A
SCHEMBL3657931 0.83 PDE10A (0.47) PDE10APDE2APDE5APDE3ATP53
SCHEMBL3658809 0.81 PDE10A (0.54) PDE10APDE2APDE5APDE3APDE11A
SCHEMBL969869 0.80 PDE10A (0.58) PDE10APDE2APDE5APDE3APDE6D
SCHEMBL3655166 0.78 PDE2A (0.58) PDE10APDE2APDE7A
SCHEMBL3657322 0.77 PDE10A (0.54) PDE10APDE2APDE5APDE3APDE11A
SCHEMBL972979 0.75 PDE10A (0.57) PDE10APDE2APDE5APDE3APDE6D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2227472-A1 ARYL AND HETEROARYL FUSED IMIDAZO (1,5-A) PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 Elbion Gmbh (DE) 2010-09-15 EP disclosed
WO-2009068320-A1 ARYL AND HETEROARYL FUSED IMIDAZO (1,5-A) PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 ELBION GMBH (DE) 2009-06-04 WO disclosed