SCHEMBL9532675

SCHEMBL9532675

CC(=O)Nc1ccc(C#CCCC2CC(c3ccccc3)=CCN2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
NSD2 O96028 1/20 0.33
PTK2 Q05397 1/20 0.33
ADORA1 P30542 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
ACACB O00763 1/20 0.32
TDO2 P48775 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CG P48736 1/20 0.31
EGFR P00533 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
SCHEMBL9529758 0.88 DRD2 (0.38) DRD2DRD4DRD3CHRNB2CHRNA4
SCHEMBL9529233 0.86 KMT2A (0.41) MEN1KMT2A
SCHEMBL9529515 0.82 DRD2 (0.35) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL9529734 0.76 DRD2 (0.52) DRD2DRD4DRD3CHRNB2CHRNA4
SCHEMBL9528065 0.76 DRD2 (0.35) DRD2DRD4DRD3
SCHEMBL9527835 0.75 ALDH1A1 (0.46) DRD2DRD4DRD3CHRNB2CHRNA4
SCHEMBL9532276 0.75 DRD2 (0.49) DRD2DRD4DRD3
SCHEMBL9529877 0.75 DRD2 (0.49) DRD2DRD4DRD3
SCHEMBL8907863 0.74 DRD2 (0.66) DRD2DRD4DRD3
SCHEMBL9529704 0.72 DRD2 (0.38) 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