SCHEMBL6558630

SCHEMBL6558630

CC1c2ccccc2-c2cccc([Zr]c3cccc4c3C(C)c3ccccc3-4)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.36
HTR7 P34969 1/20 0.35
HTR2B P41595 1/20 0.35
HTR2A P28223 1/20 0.32
POLB P06746 2/20 0.32
ACHE P22303 2/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
DRD2 P14416 2/20 0.30
DRD4 P21917 2/20 0.30

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
SCHEMBL6559823 0.82
SCHEMBL358532 0.76 GPR3 (0.39) GPR3HTR7HTR2BHTR2AACHE
Hydrochloric Acid SCHEMBL28225814 0.76 GPR3 (0.39) GPR3HTR7HTR2BHTR2APOLB
SCHEMBL31338566 0.76 GPR3 (0.39) GPR3HTR7HTR2BHTR2AACHE
SCHEMBL30987013 0.74 ALDH1A1 (0.41) GPR3HTR7HTR2BHTR2APOLB
SCHEMBL12429503 0.74 GPR3 (0.38) GPR3HTR7HTR2BHTR2AHTR1A
SCHEMBL8414397 0.74 GPR3 (0.38) GPR3HTR7HTR2BHTR2APOLB
SCHEMBL28807674 0.74 GPR3 (0.38) GPR3HTR7HTR2BHTR2APOLB
SCHEMBL29285278 0.74 ALDH1A1 (0.41) GPR3HTR7HTR2BHTR2APOLB
SCHEMBL28327267 0.74 GPR3 (0.38) GPR3HTR7HTR2BHTR2APOLB

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
EP-0705851-B9 Catalyst systems and process for producing broad molecular weight distribution polyolefin CONOCOPHILLIPS CO (US) 2004-08-11 EP claimed
EP-0705851-B1 Catalyst systems and process for producing broad molecular weight distribution polyolefin CONOCOPHILLIPS CO (US) 2004-01-21 EP claimed