SCHEMBL2053542

SCHEMBL2053542

Cc1cc(C(C)C)n2nc(C#Cc3nc(-c4ccccc4)cn3C)nc2n1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 19/20 0.59
PDE2A O00408 1/20 0.45

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
SCHEMBL2053605 0.88 PDE10A (0.58) PDE10A
SCHEMBL2043214 0.87 PDE10A (0.50) PDE10A
SCHEMBL2036380 0.87 PDE10A (0.58) PDE10A
SCHEMBL2037381 0.83 PDE10A (0.62) PDE10A
SCHEMBL2040370 0.82 PDE10A (0.63) PDE10A
SCHEMBL2038293 0.82 PDE10A (0.48) PDE10A
SCHEMBL2038211 0.80 PDE10A (0.56) PDE10A
SCHEMBL2044837 0.77 PDE10A (0.52) PDE10A
SCHEMBL2053347 0.75 PDE10A (0.58) PDE10A
SCHEMBL259888 0.74 PDE10A (0.59) PDE10APDE2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011072695-A1 PHENYLIMIDAZOLE DERIVATIVES COMPRISING AN ETHYNYLENE LINKER AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2011-06-23 WO disclosed