SCHEMBL2789805

SCHEMBL2789805

Cc1cnccc1-c1nc(C)c2c(C)nc3c(F)cc(OCC4CC4)cc3n12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 1.00
PDE2A O00408 17/20 1.00
PDE11A Q9HCR9 3/20 0.56
ADORA2A P29274 1/20 0.56
ADORA1 P30542 1/20 0.56
PDE7A Q13946 2/20 0.51
PDE5A O76074 1/20 0.47

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
SCHEMBL2790365 0.87 PDE10A (0.80) PDE10APDE2APDE11AADORA2AADORA1
SCHEMBL2790212 0.85 PDE10A (1.00) PDE10APDE2APDE11AADORA2AADORA1
SCHEMBL2789790 0.85 PDE10A (0.76) PDE10APDE2APDE11AADORA2AADORA1
SCHEMBL970252 0.84 PDE10A (1.00) PDE10APDE2APDE11AADORA2AADORA1
SCHEMBL2792240 0.82 PDE10A (0.72) PDE10APDE2APDE11AADORA2AADORA1
SCHEMBL2790378 0.81 PDE10A (0.71) PDE10APDE2APDE11AADORA2AADORA1
SCHEMBL2792285 0.81 PDE10A (1.00) PDE10APDE2APDE11AADORA2AADORA1
SCHEMBL973179 0.79 PDE10A (1.00) PDE10APDE2APDE11AADORA2AADORA1
SCHEMBL2791004 0.79 PDE10A (0.67) PDE10APDE2APDE11AADORA2AADORA1
SCHEMBL2789775 0.78 PDE10A (0.79) PDE10APDE2APDE11AADORA2AADORA1

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
WO-2010138833-A1 SUBSTITUTED IMIDAZO[1,5-a]QUINOXALINES AS INHIBITORS OF PHOSPHODIESTERASE 10 WYETH (US) 2010-12-02 WO claimed
WO-2010138833-A1 SUBSTITUTED IMIDAZO[1,5-a]QUINOXALINES AS INHIBITORS OF PHOSPHODIESTERASE 10 WYETH (US) 2010-12-02 WO disclosed