SCHEMBL9528676

SCHEMBL9528676

O=[N+]([O-])c1ccc(C#CCCC2CC(c3ccccc3)=CCN2)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
ATM Q13315 1/20 0.32
PNMT P11086 2/20 0.32
AGTR1 P30556 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NPBWR1 P48145 1/20 0.31
MCHR1 Q99705 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GABRA5 P31644 1/20 0.31
PKM P14618 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 0.83 DRD2 (0.53) DRD2DRD4DRD3
SCHEMBL9529704 0.80 DRD2 (0.38) DRD2DRD4DRD3
SCHEMBL9529515 0.79 DRD2 (0.35) DRD2DRD4DRD3KDM4EHPGD
SCHEMBL9532364 0.77 DRD2 (0.36) DRD2DRD4DRD3
SCHEMBL9529734 0.74 DRD2 (0.52) DRD2DRD4DRD3
SCHEMBL9528467 0.74 RAB9A (0.42) LMNAKDM4EHPGDPOLBSMN1; SMN2
SCHEMBL9529877 0.73 DRD2 (0.49) DRD2DRD4DRD3
SCHEMBL8906947 0.73 DRD2 (0.70) DRD2DRD4DRD3
SCHEMBL9532677 0.72 DRD2 (0.33) DRD2DRD4DRD3
SCHEMBL9527835 0.71 ALDH1A1 (0.46) DRD2DRD4DRD3ALDH1A1

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