SCHEMBL23097644

SCHEMBL23097644

O=c1ccc2cc(OCCCN3CCN(c4cccc(F)c4)CC3)ccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.58
DRD3 P35462 5/20 0.58
DRD4 P21917 3/20 0.58
SLC6A2 P23975 3/20 0.53
SLC6A4 P31645 3/20 0.53
HTR1A P08908 2/20 0.51
HTR2A P28223 2/20 0.51
HRH1 P35367 2/20 0.51
TMEM97 Q5BJF2 2/20 0.51
SIGMAR1 Q99720 2/20 0.51
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
DRD1 P21728 1/20 0.51
DRD5 P21918 1/20 0.51
ADRA1D P25100 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51

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
SCHEMBL23097779 0.89 DRD2 (0.66) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL23097573 0.89 SLC6A2 (0.65) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL10668573 0.89 DRD3 (0.71) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL23097599 0.88 DRD2 (0.60) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL23097603 0.88 DRD2 (0.68) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL23097671 0.87 DRD2 (0.56) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL23097661 0.87 DRD3 (0.65) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL23097611 0.84 DRD2 (0.63) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL23097749 0.83 DRD2 (0.58) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL23097596 0.83 DRD2 (0.59) DRD2DRD3DRD4SLC6A2SLC6A4

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