SCHEMBL7056568

SCHEMBL7056568

CCCC(N1CCC(Nc2ccccc2OC)CC1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.58
POLB P06746 2/20 0.44
DRD3 P35462 2/20 0.40
KDM4E B2RXH2 2/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GLRA3 O75311 1/20 0.38
GLRB P48167 1/20 0.38
PDE4A P27815 5/20 0.38
PDE4B Q07343 5/20 0.38
PDE4C Q08493 5/20 0.38
PDE4D Q08499 5/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
APAF1 O14727 1/20 0.38

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
SCHEMBL7057309 0.80 UBE2M (0.43) DRD2KDM4EBCHEACHEALDH1A1
SCHEMBL7051602 0.78 KDM4E (0.42) DRD2POLBKDM4EBCHEACHE
SCHEMBL7057845 0.77 UBE2M (0.43) POLBKDM4E
SCHEMBL7051852 0.76 UBE2M (0.40)
SCHEMBL7056211 0.74 UBE2M (0.45) HTTTSHRNPSR1
SCHEMBL7057300 0.74 MLNR (0.43) DRD2DRD3KDM4ECYP3A4CYP2D6
SCHEMBL7056570 0.73 DRD2 (1.00) DRD2DRD3KDM4EALDH1A1HSD17B10
SCHEMBL3196517 0.71 SLC6A4 (0.41) ALDH1A1HTTNPC1
SCHEMBL1645759 0.69 DRD2 (0.52) DRD2ALDH1A1GAAHSD17B10SMN1; SMN2
SCHEMBL6659850 0.69 TDP1 (0.49) POLBDRD3KDM4EALDH1A1GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003028725-A1 4-(1-PIPERIDINY)-BUTYLCARBOXAMIDE AS D3 DOPAMINE RECEPTOR SUBTYPE SELECTIVE LIGANDS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2003-04-10 WO disclosed