SCHEMBL23097746

SCHEMBL23097746

O=c1ccc2cc(OCCCN3CCN(c4ccccc4Cl)CC3)ccc2[nH]1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 17/20 0.72
DRD4 P21917 6/20 0.71
DRD3 P35462 6/20 0.71
DRD1 P21728 3/20 0.65
HTR1A P08908 2/20 0.58
HTR2A P28223 2/20 0.58
ADRB2 P07550 1/20 0.58
ADRB1 P08588 1/20 0.58
ADRA2A P08913 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
DRD5 P21918 1/20 0.58
SLC6A2 P23975 1/20 0.58
ADRA1D P25100 1/20 0.58
HTR1D P28221 1/20 0.58
HTR1B P28222 1/20 0.58
HTR2C P28335 1/20 0.58
HTR1E P28566 1/20 0.58
SLC6A4 P31645 1/20 0.58
GPR183 P32249 1/20 0.58

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
SCHEMBL13532797 0.91 DRD2 (0.87) DRD2DRD4DRD3DRD1HTR1A
SCHEMBL23097725 0.89 DRD2 (0.69) DRD2DRD4DRD3DRD1HTR1A
SCHEMBL23097703 0.89 DRD2 (0.72) DRD2DRD4DRD3DRD1HTR1A
SCHEMBL23097673 0.87 DRD2 (0.67) DRD2DRD4DRD3DRD1HTR1A
SCHEMBL14587005 0.87 DRD2 (0.94) DRD2DRD4DRD3DRD1HTR1A
SCHEMBL10668573 0.86 DRD3 (0.71) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL23097779 0.85 DRD2 (0.66) DRD2DRD4DRD3DRD1HTR1A
SCHEMBL23097749 0.85 DRD2 (0.58) DRD2DRD4DRD3SLC6A2SLC6A4
SCHEMBL23097661 0.84 DRD3 (0.65) DRD2DRD4DRD3SLC6A2SLC6A4
SCHEMBL23097677 0.84 KCNH2 (0.69) DRD2DRD4DRD3DRD1HTR1A

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
EP-2170334-B1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION UNIV EMORY (US) 2021-03-17 EP disclosed