SCHEMBL23097661

SCHEMBL23097661

O=c1ccc2cc(OCCCN3CCN(c4ccc5ccccc5c4)CC3)ccc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.65
DRD2 P14416 7/20 0.63
DRD4 P21917 4/20 0.63
SLC6A2 P23975 7/20 0.63
SLC6A4 P31645 7/20 0.63
HRH3 Q9Y5N1 2/20 0.60
HRH1 P35367 1/20 0.60
KCNH2 Q12809 1/20 0.54

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
SCHEMBL10668573 0.92 DRD3 (0.71) DRD3DRD2DRD4SLC6A2SLC6A4
SCHEMBL23097707 0.90 DRD3 (0.62) DRD3DRD2DRD4SLC6A2SLC6A4
SCHEMBL23097779 0.88 DRD2 (0.66) DRD3DRD2DRD4SLC6A2SLC6A4
SCHEMBL23097596 0.88 DRD2 (0.59) DRD3DRD2DRD4SLC6A2SLC6A4
SCHEMBL23097671 0.88 DRD2 (0.56) DRD3DRD2DRD4SLC6A2SLC6A4
SCHEMBL23097749 0.88 DRD2 (0.58) DRD3DRD2DRD4SLC6A2SLC6A4
SCHEMBL23097788 0.88 DRD2 (0.66) DRD3DRD2DRD4SLC6A2SLC6A4
SCHEMBL23097784 0.88 DRD2 (0.61) DRD3DRD2DRD4SLC6A2SLC6A4
SCHEMBL23097573 0.88 SLC6A2 (0.65) DRD3DRD2DRD4SLC6A2SLC6A4
SCHEMBL23097704 0.88 KCNH2 (0.59) DRD3DRD2DRD4SLC6A2SLC6A4

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