SCHEMBL7624908

SCHEMBL7624908

Cc1cccc2c1C(CC1c3ccccc3-c3cccc(C)c31)c1ccccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
PBRM1 Q86U86 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
GPR3 P46089 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TDO2 P48775 1/20 0.35
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD1 P21728 1/20 0.34
ACHE P22303 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL7606771 0.87 HTR2A (0.44) HTR2APBRM1TNKS2GPR3CA1
SCHEMBL3981626 0.87 HTR2A (0.44) HTR2APBRM1TNKS2GPR3CA1
SCHEMBL9449328 0.85 HTR2A (0.42) HTR2APBRM1TNKS2GPR3CA1
Hydrochloric Acid SCHEMBL5352133 0.85 HTR2A (0.42) HTR2APBRM1TNKS2GPR3CA1
Hydrochloric Acid SCHEMBL5352775 0.85 HTR2A (0.42) HTR2APBRM1TNKS2GPR3CA1
SCHEMBL18515869 0.85 HTR2A (0.42) HTR2APBRM1TNKS2GPR3CA1
SCHEMBL8857191 0.80 HTR2A (0.42) HTR2APBRM1TNKS2GPR3CA1
SCHEMBL9449523 0.77 EGFR (0.45) HTR2AHTR7HTR2B
SCHEMBL9449856 0.77 HTR2A (0.36) HTR2ATDO2SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL5366067 0.77 HTR2A (0.40) HTR2APBRM1TNKS2CA1CA2

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-0920403-B1 PROCESS FOR PREPARING CYCLOPENTADIENYL COMPOUNDS BASELL TECHNOLOGY CO BV (NL) 2002-01-30 EP disclosed
US-6162937-A Process for preparing cyclopentadienyl compounds MONTELL TECHNOLOGY COMPANY B.V. (NL) 2000-12-19 US disclosed
EP-0920403-A1 PROCESS FOR PREPARING CYCLOPENTADIENYL COMPOUNDS Montell Technology Company bv (NL) 1999-06-09 EP disclosed
WO-1998043931-A1 PROCESS FOR PREPARING CYCLOPENTADIENYL COMPOUNDS MONTELL TECHNOLOGY COMPANY B.V. (NL) 1998-10-08 WO disclosed