SCHEMBL9532276

SCHEMBL9532276

Nc1ccc(C#CCCC2CC(c3ccccc3)=CCN2)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.49
DRD3 P35462 5/20 0.49
DRD4 P21917 4/20 0.49
MAPT P10636 1/20 0.36

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
SCHEMBL9529877 0.86 DRD2 (0.49) DRD2DRD3DRD4
SCHEMBL9528065 0.85 DRD2 (0.35) DRD2DRD3DRD4
SCHEMBL9528137 0.83 DRD2 (0.53) DRD2DRD3DRD4
SCHEMBL9529734 0.81 DRD2 (0.52) DRD2DRD3DRD4
SCHEMBL9529758 0.79 DRD2 (0.38) DRD2DRD3DRD4
SCHEMBL9532677 0.78 DRD2 (0.33) DRD2DRD3DRD4
SCHEMBL9527835 0.77 ALDH1A1 (0.46) DRD2DRD3DRD4
SCHEMBL9528731 0.76 DRD2 (0.52) DRD2DRD3DRD4
SCHEMBL6648602 0.76 SIGMAR1 (0.36) MAPT
SCHEMBL9532675 0.75 GRIN2B (0.36) DRD2DRD3DRD4

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