SCHEMBL1699476

SCHEMBL1699476

CC(C)c1c(Cl)cnc2c1[nH]c(=O)n2-c1ccc(Oc2nc3cccnc3n2C)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.36
DRD1 P21728 5/20 0.35
PDE4B Q07343 1/20 0.33
USP1 O94782 4/20 0.33
LMNA P02545 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
MAP3K11 Q16584 1/20 0.31

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
SCHEMBL1699111 0.90 PDE10A (0.36) PDE10ADRD1PDE4BLMNA
SCHEMBL1699098 0.81 DRD1 (0.44) PDE10ADRD1PDE4BLMNAHDAC1
SCHEMBL1699084 0.80 DRD1 (0.39) PDE10ADRD1PDE4BLMNAHDAC1
SCHEMBL1699250 0.80 PDE10A (0.36) PDE10ADRD1PDE4BLMNAHDAC1
SCHEMBL1699248 0.79 DRD1 (0.38) PDE10ADRD1PDE4BLMNAHDAC1
SCHEMBL1699092 0.79 DRD1 (0.38) PDE10ADRD1PDE4BLMNAHDAC1
SCHEMBL14889112 0.78 DRD1 (0.38) PDE10ADRD1PDE4BLMNA
SCHEMBL1699557 0.76 HDAC1 (0.37) PDE10ADRD1USP1LMNAHDAC1
SCHEMBL1699185 0.74 NPC1 (0.50)
SCHEMBL9981648 0.73 PDE10A (0.41) PDE10APDE4BLMNA

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-2011163355-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-29 WO disclosed