SCHEMBL5267585

SCHEMBL5267585

O=C(CCN1CCOCC1)NC1CCC(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.59
DRD3 P35462 9/20 0.59
KMT2A Q03164 1/20 0.54
HTR2A P28223 2/20 0.51
HTR1A P08908 1/20 0.51
DRD4 P21917 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL5272696 0.92 DRD2 (0.62) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL5273735 0.91 DRD2 (0.61) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL13630125 0.89 DRD2 (0.66) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL4483665 0.89 DRD2 (0.66) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL13630038 0.87 DRD2 (0.61) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL3869397 0.87 DRD2 (0.61) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL4496109 0.87 DRD2 (0.65) DRD2DRD3HTR2AKDM4EALDH1A1
SCHEMBL13629882 0.87 DRD2 (0.65) DRD2DRD3HTR2AKDM4EALDH1A1
SCHEMBL13629900 0.86 DRD2 (0.67) DRD2DRD3HTR2AKDM4EALDH1A1
SCHEMBL4486488 0.86 DRD2 (0.67) DRD2DRD3HTR2AKDM4EALDH1A1

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
EP-1870405-A1 Carbonylated (Aza)cyclohexanes as dopamine D3 receptor ligands BIOPROJET (FR) 2007-12-26 EP claimed
EP-1870405-A1 Carbonylated (Aza)cyclohexanes as dopamine D3 receptor ligands BIOPROJET (FR) 2007-12-26 EP disclosed