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SCHEMBL3665598

SCHEMBL3665598

COc1nc(C)c2c(C)nc3c(F)cc(F)cc3n12.Cc1ccccc1-c1nc(C)c2c(C)nc3c(F)cc(F)cc3n12.Cc1ccncc1-c1nc(C)c2c(C)nc3c(F)cc(F)cc3n12.Cc1cnccc1-c1nc(C)c2c(C)nc3c(F)cc(F)cc3n12.Cc1nn(C)c(C)c1-c1nc(C)c2c(C)nc3ccc(Cl)cc3n12

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 20/20 0.53
▸ PDE2A O00408 16/20 0.53
▸ ADORA2A P29274 1/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ PDE7A Q13946 1/20 0.41
▸ PDE11A Q9HCR9 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
SCHEMBL3668628 0.75 PDE10A (0.44) PDE10APDE2AADORA2AADORA1PDE7A
SCHEMBL2836675 0.72 PDE10A (0.79) PDE10APDE2AADORA2AADORA1PDE11A
SCHEMBL969578 0.72 PDE10A (1.00) PDE10APDE2AADORA2AADORA1PDE11A
SCHEMBL973179 0.72 PDE10A (1.00) PDE10APDE2AADORA2AADORA1PDE7A
SCHEMBL969970 0.72 PDE10A (1.00) PDE10APDE2APDE7APDE11A
SCHEMBL972767 0.72 PDE10A (1.00) PDE10APDE2AADORA2AADORA1PDE7A
SCHEMBL970594 0.71 PDE2A (0.55) PDE10APDE2APDE7A
SCHEMBL971103 0.70 PDE10A (0.77) PDE10APDE2AADORA2AADORA1PDE11A
SCHEMBL968869 0.69 PDE10A (0.72) PDE10APDE2APDE7APDE11A
SCHEMBL972184 0.68 PDE10A (1.00) PDE10APDE2AADORA2AADORA1PDE7A

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