SCHEMBL2053347

SCHEMBL2053347

Cc1cc(C)n2nc(C#Cc3nc(-c4ccccc4)cn3C)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 19/20 0.58
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL2040973 0.86 PDE10A (0.57) PDE10A
SCHEMBL2053605 0.82 PDE10A (0.58) PDE10A
SCHEMBL2053912 0.78 PDE10A (0.57) PDE10AKDM4ENPC1RAB9A
SCHEMBL2039411 0.78 PDE10A (0.42) PDE10A
SCHEMBL2036380 0.76 PDE10A (0.58) PDE10AKDM4E
SCHEMBL2037872 0.76 PDE10A (0.48) PDE10A
SCHEMBL2034814 0.76 PDE10A (0.57) PDE10A
SCHEMBL2038698 0.76 PDE10A (0.50) PDE10A
SCHEMBL2044926 0.76 PDE10A (0.59) PDE10A
SCHEMBL2043214 0.76 PDE10A (0.50) PDE10AKDM4E

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 claimed