SCHEMBL23097703

SCHEMBL23097703

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.72
DRD4 P21917 6/20 0.72
DRD3 P35462 6/20 0.72
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
HPGD P15428 1/20 0.59
MAPK1 P28482 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
SLC6A2 P23975 2/20 0.59
SLC6A4 P31645 2/20 0.59
ADRB2 P07550 1/20 0.57
ADRB1 P08588 1/20 0.57
HTR1A P08908 1/20 0.57
ADRA2A P08913 1/20 0.57
ADRA2B P18089 1/20 0.57
ADRA2C P18825 1/20 0.57
DRD1 P21728 1/20 0.57
DRD5 P21918 1/20 0.57
ADRA1D P25100 1/20 0.57

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 0.89 DRD2 (0.72) DRD2DRD4DRD3SLC6A2SLC6A4
SCHEMBL23097725 0.88 DRD2 (0.69) DRD2DRD4DRD3SLC6A2SLC6A4
SCHEMBL23097673 0.86 DRD2 (0.67) DRD2DRD4DRD3SLC6A2SLC6A4
SCHEMBL2424904 0.86 DRD2 (0.72) DRD2DRD4DRD3SLC6A2SLC6A4
SCHEMBL10668573 0.85 DRD3 (0.71) DRD2DRD4DRD3SLC6A2SLC6A4
SCHEMBL10664987 0.84 DRD2 (1.00) DRD2DRD4DRD3SLC6A2SLC6A4
SCHEMBL23097596 0.84 DRD2 (0.59) DRD2DRD4DRD3SLC6A2SLC6A4
SCHEMBL23097661 0.84 DRD3 (0.65) DRD2DRD4DRD3SLC6A2SLC6A4
SCHEMBL23097784 0.84 DRD2 (0.61) DRD2DRD4DRD3SLC6A2SLC6A4
SCHEMBL23097599 0.83 DRD2 (0.60) 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