SCHEMBL9015945

SCHEMBL9015945

c1ccc(N2CCN(CC3COCCO3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
DRD4 P21917 7/20 0.48
DRD2 P14416 7/20 0.48
DRD3 P35462 5/20 0.48
CHRNA7 P36544 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
KCNH2 Q12809 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
HTR1A P08908 3/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
HTR7 P34969 3/20 0.43
CYP2D6 P10635 1/20 0.42

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
SCHEMBL3356592 0.88 DRD4 (0.55) DRD4DRD2DRD3CHRNA7KDM4E
SCHEMBL2937179 0.77 SLC6A2 (0.53) DRD4DRD2DRD3CHRNA7KDM4E
SCHEMBL2936818 0.77 SLC6A2 (0.53) DRD4DRD2DRD3CHRNA7KDM4E
SCHEMBL20257559 0.73 CHRM2 (0.43) KDM4E
SCHEMBL7937213 0.72 HTR1A (0.71) LMNADRD4DRD2DRD3TSHR
SCHEMBL2935244 0.72 AKR1C3 (0.47) DRD4DRD2DRD3CHRNA7SIGMAR1
SCHEMBL12605630 0.72 KCNH2 (0.69) LMNADRD4DRD2DRD3CHRNA7
SCHEMBL5022446 0.72 ABCB1 (0.55) LMNADRD4DRD2DRD3KDM4E
SCHEMBL16142256 0.72 HTR7 (0.59) DRD4DRD2DRD3CHRNA7KCNH2
SCHEMBL11084741 0.71 DRD2 (0.67) DRD4DRD2DRD3CHRNA7KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0441222-B1 Process and electrode system for determining an analyte or an oxidoreductase as well as suitable compounds BOEHRINGER MANNHEIM GMBH (DE) 1996-12-18 EP disclosed
US-5286362-A Reducible substance is enzymatically reduced and oxidized at the electrode; substance formed by oxidation is different from the reducible substance used initially BOEHRINGER MANNHEIM GMBH (DE) 1994-02-15 US disclosed
US-5122244-A Having a reducible nitroso or oxime compound to transfer electrons leading to a signal and form an aromatic amine oxidizable to a compound different from the original; low voltage BOEHRINGER MANNHEIM GMBH (DE) 1992-06-16 US disclosed
EP-0441222-A2 Process and electrode system for determining an analyte or an oxidoreductase as well as suitable compounds Roche Diagnostics GmbH (DE) 1991-08-14 EP disclosed