SCHEMBL2641013

SCHEMBL2641013

COCC(=O)N1CCc2ccc(NCc3ccc(Cl)cc3)cc21.Cn1ccc(S(=O)(=O)O)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.41
DRD2 P14416 9/20 0.40
DRD4 P21917 8/20 0.40
LMNA P02545 2/20 0.37
THRB P10828 2/20 0.37
HSD17B3 P37058 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
TSHR P16473 1/20 0.36
EIF2AK3 Q9NZJ5 1/20 0.36
KDM4E B2RXH2 1/20 0.36
F2 P00734 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL1948375 0.86 DRD2 (0.51) PTPN11DRD2DRD4LMNATHRB
SCHEMBL1950469 0.81 DRD4 (0.50) PTPN11DRD2DRD4LMNATHRB
SCHEMBL1947007 0.79 DRD2 (0.40) PTPN11DRD2DRD4LMNAMEN1
SCHEMBL1950711 0.78 DRD2 (0.48) DRD2DRD4LMNATHRBHSD17B3
SCHEMBL1950166 0.76 PTPN11 (0.43) PTPN11DRD2DRD4LMNATHRB
SCHEMBL2641024 0.75 NPC1 (0.37) LMNATHRBHSD17B3POLBGAA
SCHEMBL1950239 0.74 NOTUM (0.64) DRD2DRD4LMNATHRBHSD17B3
SCHEMBL3415407 0.73 HSD11B1 (0.45) MEN1KMT2ATSHR
SCHEMBL1950866 0.73 DRD2 (0.48) DRD2DRD4LMNATHRBPOLB
SCHEMBL2641573 0.71 NOTUM (0.44) DRD2DRD4LMNATHRBPOLB

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-2438055-A1 DIHYDROINDOLE AND TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL INHIBITORS Xention Limited (GB) 2012-04-11 EP claimed
WO-2010139967-A1 DIHYDROINDOLE AND TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL INHIBITORS XENTION LIMITED (GB) 2010-12-09 WO claimed
EP-2438055-A1 DIHYDROINDOLE AND TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL INHIBITORS Xention Limited (GB) 2012-04-11 EP disclosed
WO-2010139967-A1 DIHYDROINDOLE AND TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL INHIBITORS XENTION LIMITED (GB) 2010-12-09 WO disclosed