SCHEMBL2052286

SCHEMBL2052286

CCOCC(O)Cn1cc(-c2cccs2)nc1CCc1cn2c(C)cc(C)nc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 1.00

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
SCHEMBL2048832 0.92 PDE10A (1.00) PDE10A
SCHEMBL2046158 0.88 PDE10A (1.00) PDE10A
SCHEMBL2054401 0.85 PDE10A (1.00) PDE10A
SCHEMBL2040621 0.82 PDE10A (1.00) PDE10A
SCHEMBL2042016 0.81 PDE10A (1.00) PDE10A
SCHEMBL2043690 0.80 PDE10A (1.00) PDE10A
SCHEMBL2042044 0.80 PDE10A (1.00) PDE10A
SCHEMBL2041414 0.79 PDE10A (1.00) PDE10A
SCHEMBL6901358 0.78 PDE10A (1.00) PDE10A
SCHEMBL2038852 0.78 PDE10A (1.00) PDE10A

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-2513107-A1 HETEROAROMATIC PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. Lundbeck A/S (DK) 2012-10-24 EP claimed
WO-2011072694-A1 HETEROAROMATIC PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2011-06-23 WO claimed