SCHEMBL7066700

SCHEMBL7066700

N#Cc1ccc(CN2CCN(c3ccc(N)cc3)CC2)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 15/20 0.54
DRD3 P35462 15/20 0.54
DRD2 P14416 14/20 0.52
HTR1A P08908 3/20 0.49
MAPT P10636 3/20 0.49
GFER P55789 3/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 2/20 0.49
RAD52 P43351 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADRA2C P18825 1/20 0.41
KMT2A Q03164 1/20 0.41
PTK2B Q14289 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL7066698 0.83 DRD4 (0.52) DRD4DRD3DRD2HTR1AALDH1A1
SCHEMBL7068730 0.77 DRD2 (0.77) DRD4DRD3DRD2HTR1AMAPT
SCHEMBL6701280 0.75 DRD4 (0.75) DRD4DRD3DRD2HTR1AMAPT
SCHEMBL6647499 0.73 CYP17A1 (0.51) DRD4DRD3DRD2HTR1AMAPT
SCHEMBL6703230 0.72 MAPT (0.61) MAPTGFERKDM4EGAARAD52
Hydrochloric Acid SCHEMBL6700203 0.72 CYP17A1 (0.50) DRD4DRD3DRD2HTR1AMAPT
SCHEMBL7066635 0.71 MAPT (0.48) DRD4DRD3DRD2HTR1AMAPT
SCHEMBL654308 0.71 DRD4 (0.77) DRD4DRD3DRD2MAPTGFER
SCHEMBL22495230 0.70 KDM4E (0.67) MAPTGFERKDM4EGAARAD52
SCHEMBL12006115 0.70 MAPT (0.57) MAPTGFERKDM4EGAARAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003047575-A1 THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-06-12 WO claimed
WO-2003047575-A1 THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-06-12 WO disclosed
WO-2003048121-A1 THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-06-12 WO disclosed