SCHEMBL3665849

SCHEMBL3665849

CCCc1nc(C)c2c(C)nc3ccc(F)cc3n12.Cc1nc(C2CCCCC2)n2c1c(C)nc1ccc(F)cc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 15/20 0.46
PDE2A O00408 7/20 0.43
PDE5A O76074 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE7A Q13946 1/20 0.41
PDE3A Q14432 1/20 0.41
PDE11A Q9HCR9 1/20 0.41
PDE7B Q9NP56 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
SCHEMBL970420 0.89 PDE10A (0.55) PDE10APDE2A
SCHEMBL970643 0.86 PDE10A (0.57) PDE10APDE2APDE5APDE4APDE4D
SCHEMBL4160983 0.84 PDE10A (0.52) PDE10APDE2APDE5APDE4APDE4D
SCHEMBL970001 0.81 PDE10A (0.46) PDE10APDE2A
SCHEMBL968377 0.81 PDE10A (0.46) PDE10APDE2A
SCHEMBL3657929 0.80 PDE10A (0.39) PDE10APDE2APDE5APDE4APDE4D
SCHEMBL969580 0.77 PDE10A (0.46) PDE10APDE2APDE5APDE4APDE4D
SCHEMBL971026 0.77 PDE10A (0.46) PDE10APDE2APDE5APDE4APDE4D
SCHEMBL3658808 0.77 PDE10A (0.43) PDE10APDE2APDE5APDE3APDE11A
SCHEMBL969869 0.76 PDE10A (0.58) PDE10APDE2APDE5APDE4APDE4D

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-2225248-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-A]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 Wyeth LLC (US) 2010-09-08 EP disclosed
WO-2009070584-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-A]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 WYETH (US) 2009-06-04 WO disclosed