SCHEMBL2558017

SCHEMBL2558017

CCOC(=O)CCCN1CC(c2ccc(OC)c3oc4ccccc4c23)CC1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.58
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TNF P01375 7/20 0.38
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 2/20 0.36
MAOA P21397 1/20 0.36
RAB9A P51151 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 2/20 0.36
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL6112537 0.90 PDE10A (0.61) PDE10AHTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL8272011 0.88 PDE10A (0.62) PDE10AKDM4EALDH1A1LMNANPC1
SCHEMBL8271489 0.85 PDE10A (0.63) PDE10ASMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL8271479 0.84 PDE10A (0.66) PDE10AKDM4EALDH1A1LMNANPC1
SCHEMBL8271493 0.82 PDE10A (0.65) PDE10AHTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL8272634 0.80 PDE10A (0.64) PDE10AHTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL7705223 0.80 PDE10A (0.59) PDE10AHTTKDM4EALDH1A1LMNA
SCHEMBL2563176 0.80 PDE10A (0.57) PDE10AHTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL8271478 0.80 PDE10A (0.63) PDE10AKDM4EALDH1A1LMNANPC1
SCHEMBL8272031 0.79 PDE10A (0.59) PDE10AKDM4EALDH1A1LMNANPC1

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-2011132051-A2 TRICYCLE COMPOUNDS AS PHOSPHODIESTERASE-10 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-10-27 WO disclosed
WO-2011132051-A2 TRICYCLE COMPOUNDS AS PHOSPHODIESTERASE-10 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-10-27 WO disclosed