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SCHEMBL3661816

SCHEMBL3661816

Cc1ccccc1-c1nc(C)c2c(C)nc3ccc(Cl)cc3n12.Cc1ccncc1-c1nc(C)c2c(C)nc3ccc(Cl)cc3n12.Cc1cnccc1-c1nc(C)c2c(C)nc3ccc(Cl)cc3n12.Cc1nc(-c2ccc(F)c(C(N)=O)c2)n2c1c(C)nc1ccc(Cl)cc12.Cc1nc(-c2cccc(C(N)=O)c2)n2c1c(C)nc1ccc(Cl)cc12.Cc1nc(-c2ccccc2Cl)n2c1c(C)nc1ccc(Cl)cc12.Cc1nc(F)ccc1-c1nc(C)c2c(C)nc3ccc(Cl)cc3n12

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 20/20 0.48
▸ PDE2A O00408 14/20 0.48
▸ PDE7A Q13946 3/20 0.38
▸ PDE11A Q9HCR9 2/20 0.38
▸ PDE5A O76074 1/20 0.38
▸ PDE4D Q08499 1/20 0.34
▸ PDE3A Q14432 1/20 0.34

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
SCHEMBL3665677 0.76 PDE10A (0.57) PDE10APDE2APDE11APDE5A
SCHEMBL968598 0.74 PDE10A (0.48) PDE10APDE2APDE7APDE11APDE5A
SCHEMBL969607 0.73 PDE2A (0.61) PDE10APDE2APDE7APDE11APDE5A
SCHEMBL972767 0.69 PDE10A (1.00) PDE10APDE2APDE7APDE11A
SCHEMBL969970 0.69 PDE10A (1.00) PDE10APDE2APDE7APDE11APDE5A
SCHEMBL972488 0.68 PDE10A (0.61) PDE10APDE2APDE7APDE11A
SCHEMBL972876 0.67 PDE10A (0.52) PDE10APDE2APDE7APDE11APDE5A
SCHEMBL968986 0.66 PDE2A (0.69) PDE10APDE2APDE7A
SCHEMBL968869 0.66 PDE10A (0.72) PDE10APDE2APDE7APDE11APDE5A
SCHEMBL968997 0.66 PDE10A (0.64) PDE10APDE2APDE7APDE11APDE5A

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