SCHEMBL9528137

SCHEMBL9528137

Nc1ccc(C#CCCC2CC(c3ccccc3)=CCN2)nc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.53
DRD3 P35462 4/20 0.53
DRD4 P21917 3/20 0.53

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
SCHEMBL9529704 0.85 DRD2 (0.38) DRD2DRD3DRD4
SCHEMBL9532276 0.83 DRD2 (0.49) DRD2DRD3DRD4
SCHEMBL9528676 0.83 DRD2 (0.37) DRD2DRD3DRD4
SCHEMBL9532364 0.81 DRD2 (0.36) DRD2DRD3DRD4
SCHEMBL9529515 0.81 DRD2 (0.35) DRD2DRD3DRD4
SCHEMBL9532677 0.80 DRD2 (0.33) DRD2DRD3DRD4
SCHEMBL9529877 0.77 DRD2 (0.49) DRD2DRD3DRD4
SCHEMBL9529734 0.76 DRD2 (0.52) DRD2DRD3DRD4
SCHEMBL9528467 0.76 RAB9A (0.42)
SCHEMBL9527835 0.75 ALDH1A1 (0.46) 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