SCHEMBL23097673

SCHEMBL23097673

N#Cc1ccccc1N1CCN(CCCOc2ccc3[nH]c(=O)ccc3c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.67
DRD4 P21917 6/20 0.67
DRD3 P35462 6/20 0.67
SLC6A2 P23975 3/20 0.55
SLC6A4 P31645 3/20 0.55
ADRB2 P07550 1/20 0.55
ADRB1 P08588 1/20 0.55
HTR1A P08908 1/20 0.55
ADRA2A P08913 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
DRD1 P21728 1/20 0.55
DRD5 P21918 1/20 0.55
ADRA1D P25100 1/20 0.55
HTR1D P28221 1/20 0.55
HTR1B P28222 1/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
HTR1E P28566 1/20 0.55
GPR183 P32249 1/20 0.55

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
SCHEMBL23097746 0.87 DRD2 (0.72) DRD2DRD4DRD3SLC6A2SLC6A4
SCHEMBL23097703 0.86 DRD2 (0.72) DRD2DRD4DRD3SLC6A2SLC6A4
SCHEMBL23097725 0.86 DRD2 (0.69) DRD2DRD4DRD3SLC6A2SLC6A4
SCHEMBL10668573 0.84 DRD3 (0.71) DRD2DRD4DRD3SLC6A2SLC6A4
SCHEMBL23097657 0.83 DRD2 (0.55) DRD2DRD4DRD3SLC6A2SLC6A4
SCHEMBL2023971 0.83 KCNH2 (0.66) DRD2DRD4DRD3HTR1AHTR7
SCHEMBL2023970 0.83 KCNH2 (0.66) DRD2DRD4DRD3HTR1AHTR7
SCHEMBL23097661 0.82 DRD3 (0.65) DRD2DRD4DRD3SLC6A2SLC6A4
SCHEMBL23097707 0.80 DRD3 (0.62) DRD2DRD4DRD3SLC6A2SLC6A4
SCHEMBL10664987 0.80 DRD2 (1.00) DRD2DRD4DRD3SLC6A2SLC6A4

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