SCHEMBL6656969

SCHEMBL6656969

CCc1cccc2c(OCCC3CCN(c4cc([N+](=O)[O-])cc[n+]4[O-])CC3)ccnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.38
MET P08581 3/20 0.34
CTSB P07858 3/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
HTR1A P08908 2/20 0.32
DRD2 P14416 2/20 0.32
HTR2A P28223 2/20 0.32
ACHE P22303 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
HTR2C P28335 1/20 0.32
DRD3 P35462 1/20 0.32
HTR2B P41595 1/20 0.32
FAAH O00519 2/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CNR2 P34972 1/20 0.31
ENPP1 P22413 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
SCHEMBL6660649 0.86 KDM1A (0.39) SLC2A1METHTR1ADRD2HTR2A
SCHEMBL6663513 0.83 HTR1A (0.41) METHTR1ADRD2HTR2ASMN1; SMN2
SCHEMBL6656020 0.82 MAPT (0.39) METDRD2HTR2AACHEDRD4
SCHEMBL6657550 0.79 HTR1A (0.40) HTR1AMAPTHTTSMN1; SMN2
SCHEMBL6660658 0.77 CHRNB4 (0.43) CHRNB4CHRNA3HTR1ACHRNB1CHRNB2
SCHEMBL6658483 0.77 MAPT (0.45) CHRNB4CHRNA3ACHECHRNB1CHRNB2
SCHEMBL6656071 0.76 HTR7 (0.41) CHRNB4CHRNA3HTR1ADRD2HTR2A
SCHEMBL6657970 0.74 ACHE (0.39) CHRNB4CHRNA3DRD2ACHEDRD4
SCHEMBL6658785 0.74 CHRNB4 (0.44) CHRNB4CHRNA3HTR1AFAAHCHRNB1
SCHEMBL6657776 0.74 MAOB (0.48) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3

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-2004004715-A2 NOVEL DELTA OPIOID RECEPTOR LIGANDS GLAXOSMITHKLINE SPA (IT) 2004-01-15 WO disclosed