SCHEMBL6906227

SCHEMBL6906227

Cc1cccc2c1CCc1ccccc1C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 12/20 0.47
DRD5 P21918 12/20 0.47
DRD2 P14416 11/20 0.47
DRD3 P35462 10/20 0.47
DRD4 P21917 9/20 0.47
CYP2A6 P11509 1/20 0.43
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37
HTR6 P50406 1/20 0.37
TSHR P16473 2/20 0.37
ACHE P22303 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
SCHEMBL6904839 0.91 PARP1 (0.38) DRD1DRD5DRD2DRD3DRD4
SCHEMBL6905197 0.85 DRD3 (0.49) DRD1DRD5DRD2DRD3DRD4
SCHEMBL1192279 0.85 DRD2 (0.41) DRD1DRD5DRD2DRD3DRD4
SCHEMBL11352084 0.84
SCHEMBL31379414 0.78 CYP2A6 (0.46) DRD1DRD5DRD2DRD3DRD4
SCHEMBL7056082 0.78 BCL2L1 (0.41) DRD1DRD5DRD2DRD3CYP2A6
SCHEMBL4602959 0.78 CYP2A6 (0.52) CYP2A6ACHE
SCHEMBL250734 0.76 CYP2A6 (0.65) DRD1DRD5DRD2DRD3DRD4
SCHEMBL2771201 0.76 CYP2A6 (0.48) DRD1DRD5DRD2DRD3DRD4
SCHEMBL1861381 0.75 ADRA2A (0.48) DRD1DRD5DRD2DRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6815481-B2 FUSED DIBENZO THERMAL STABILIZERS SUCH AS ANTHRACENE, XANTHENE AND ANTHRONE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-09 US disclosed
US-20020032256-A1 Polybutadiene composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-14 US disclosed