SCHEMBL7606771

SCHEMBL7606771

Cc1cccc2c1C(CCC1c3ccccc3-c3cccc(C)c31)c1ccccc1-2.[Zr]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.44
TDO2 P48775 1/20 0.37
PBRM1 Q86U86 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
GPR3 P46089 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ACHE P22303 2/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
Hydrochloric Acid SCHEMBL5352775 0.95 HTR2A (0.42) HTR2ATDO2PBRM1TNKS2GPR3
Hydrochloric Acid SCHEMBL5352133 0.95 HTR2A (0.42) HTR2ATDO2PBRM1TNKS2GPR3
SCHEMBL8857191 0.89 HTR2A (0.42) HTR2ATDO2PBRM1TNKS2GPR3
SCHEMBL7624908 0.87 HTR2A (0.45) HTR2ATDO2PBRM1TNKS2GPR3
Hydrochloric Acid SCHEMBL5366067 0.86 HTR2A (0.40) HTR2ATDO2PBRM1TNKS2CA1
SCHEMBL9449856 0.86 HTR2A (0.36) HTR2ATDO2SLC6A2SLC6A4SLC6A3
SCHEMBL3981626 0.85 HTR2A (0.44) HTR2ATDO2PBRM1TNKS2GPR3
SCHEMBL18515869 0.84 HTR2A (0.42) HTR2ATDO2PBRM1TNKS2GPR3
SCHEMBL9449328 0.84 HTR2A (0.42) HTR2ATDO2PBRM1TNKS2GPR3
SCHEMBL27379567 0.83 HTR2A (0.38) HTR2ATDO2PBRM1TNKS2CA1

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
EP-0524624-B1 Use of organometallic flurorenyl compounds. PHILLIPS PETROLEUM CO (US) 2002-05-15 EP claimed