SCHEMBL8287334

SCHEMBL8287334

Bc1cc(OC)c(OC)c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 14/20 0.81
DRD4 P21917 13/20 0.81
DRD2 P14416 13/20 0.81
SIGMAR1 Q99720 2/20 0.81
HTR2A P28223 4/20 0.61
HTR1A P08908 3/20 0.61
FAAH O00519 1/20 0.60
HTR2C P28335 3/20 0.59
DRD1 P21728 2/20 0.59
ADRA1D P25100 2/20 0.59
ADRA1A P35348 2/20 0.59
ADRA1B P35368 2/20 0.59
HTR2B P41595 2/20 0.59
SLC6A4 P31645 1/20 0.59

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
SCHEMBL8286909 0.90 DRD3 (1.00) DRD3DRD4DRD2SIGMAR1HTR2A
SCHEMBL8286906 0.83 DRD2 (1.00) DRD3DRD4DRD2SIGMAR1
SCHEMBL13637989 0.83 DRD2 (0.84) DRD3DRD4DRD2SIGMAR1HTR2A
SCHEMBL7433461 0.78 DRD2 (0.72) DRD3DRD4DRD2SIGMAR1HTR2A
SCHEMBL6978822 0.78 DRD3 (1.00) DRD3DRD4DRD2SIGMAR1
SCHEMBL7114888 0.78 DRD2 (0.73) DRD3DRD4DRD2SIGMAR1
SCHEMBL14495145 0.77 DRD2 (0.75) DRD3DRD4DRD2SIGMAR1HTR2A
SCHEMBL14495136 0.77 DRD2 (0.73) DRD3DRD4DRD2SIGMAR1HTR2A
SCHEMBL14494851 0.77 DRD2 (0.62) DRD3DRD4DRD2SIGMAR1HTR2A
SCHEMBL3408334 0.76 DRD3 (0.77) DRD3DRD4DRD2HTR2AHTR1A

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-2005048810-A2 SIGMA-2 RECEPTOR RADIOTRACERS FOR IMAGING THE PROLIFERATIVE STATUS OF SOLID TUMORS WASHINGTON UNIVERSITY IN ST. LOUIS (US) 2005-06-02 WO disclosed