SCHEMBL9532677

SCHEMBL9532677

Nc1ncc(C#CCCC2CC(c3ccccc3)=CCN2)s1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
F2 P00734 1/20 0.31

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
SCHEMBL9528137 0.80 DRD2 (0.53) DRD2DRD4DRD3
SCHEMBL9532276 0.78 DRD2 (0.49) DRD2DRD4DRD3
SCHEMBL9529877 0.76 DRD2 (0.49) DRD2DRD4DRD3
SCHEMBL9529734 0.75 DRD2 (0.52) DRD2DRD4DRD3
SCHEMBL9527835 0.74 ALDH1A1 (0.46) DRD2DRD4DRD3
SCHEMBL9529704 0.73 DRD2 (0.38) DRD2DRD4DRD3
SCHEMBL9529758 0.73 DRD2 (0.38) DRD2DRD4DRD3F2
SCHEMBL9530826 0.73 DRD2 (0.30) DRD2DRD4DRD3
SCHEMBL9528676 0.72 DRD2 (0.37) DRD2DRD4DRD3
SCHEMBL9528065 0.71 DRD2 (0.35) DRD2DRD4DRD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0556332-A1 SUBSTITUTED TETRAHYDROPYRIDINES AND HYDROXYPIPERIDINES AS CENTRAL NERVOUS SYSTEM AGENTS. WARNER LAMBERT CO (US) 1993-08-25 EP claimed
EP-0556332-A1 SUBSTITUTED TETRAHYDROPYRIDINES AND HYDROXYPIPERIDINES AS CENTRAL NERVOUS SYSTEM AGENTS. WARNER LAMBERT CO (US) 1993-08-25 EP disclosed