SCHEMBL9529758

SCHEMBL9529758

CNc1ccc(C#CCCC2CC(c3ccccc3)=CCN2)cn1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.38
DRD4 P21917 4/20 0.38
DRD3 P35462 4/20 0.38
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
F2 P00734 1/20 0.34
MTOR P42345 4/20 0.32
PIK3CA P42336 3/20 0.32

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
SCHEMBL9532675 0.88 GRIN2B (0.36) DRD2DRD4DRD3CHRNB2CHRNA4
SCHEMBL9528065 0.84 DRD2 (0.35) DRD2DRD4DRD3
SCHEMBL9529734 0.80 DRD2 (0.52) DRD2DRD4DRD3CHRNB2CHRNA4
SCHEMBL9529704 0.80 DRD2 (0.38) DRD2DRD4DRD3
SCHEMBL9527835 0.79 ALDH1A1 (0.46) DRD2DRD4DRD3CHRNB2CHRNA4
SCHEMBL9532276 0.79 DRD2 (0.49) DRD2DRD4DRD3
SCHEMBL9529877 0.79 DRD2 (0.49) DRD2DRD4DRD3
SCHEMBL9529233 0.76 KMT2A (0.41)
SCHEMBL9528731 0.76 DRD2 (0.52) DRD2DRD4DRD3CHRNB2CHRNA4
SCHEMBL9531187 0.75 ALDH1A1 (0.46) DRD2DRD4DRD3CHRNB2CHRNA4

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