SCHEMBL8715494

SCHEMBL8715494

BrC(Br)(Br)CC(OC(CC(Br)(Br)Br)c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
GSR P00390 1/20 0.36
HTR2A P28223 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
SLC6A4 P31645 5/20 0.35
NOS2 P35228 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KCNK2 O95069 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1C Q13936 1/20 0.34
DPP4 P27487 2/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
HRH1 P35367 1/20 0.33
MTOR P42345 1/20 0.33
RAB9A P51151 1/20 0.33
GRM7 Q14831 1/20 0.33
F2 P00734 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
SCHEMBL8715450 0.80 CHRNB2 (0.40) CHRNB2CHRNA4GSRHTR2ATAAR1
SCHEMBL8718124 0.80 SLC6A4 (0.40) CHRNB2CHRNA4GSRHTR2ATAAR1
SCHEMBL9174451 0.76 HTR2A (0.39) CHRNB2CHRNA4GSRHTR2ATAAR1
SCHEMBL3053696 0.73 SLC6A4 (0.39) GSRHTR2ATAAR1SLC6A4SLC6A2
SCHEMBL36373 0.71 LMNA (0.50) HTR2ATAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL11462159 0.71 CES2 (0.39) HTR2ATAAR1DPP4HRH1MTOR
SCHEMBL4426985 0.71 GSR (0.57) GSRHTR2ATAAR1SLC6A4
SCHEMBL6643895 0.71 HTR2A (0.39) GSRHTR2ATAAR1SLC6A4SLC6A2
SCHEMBL135683 0.71 TSHR (0.42) CHRNB2CHRNA4GSRHTR2ATAAR1
SCHEMBL971331 0.70 SLC6A2 (0.47) HTR2ATAAR1SLC6A4SLC6A2SLC6A3

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-5744678-A NICKEL COMPOUND, ORGANOPHOSPHORUS COMPOUND, ORGANOALUMINUM COMPOUND, CARBON-HALOGEN COMPOUNDS; CATALYST SELECTIVITY NIPPON OIL CO., LTD. (JP) 1998-04-28 US disclosed
EP-0758563-A1 OLEFIN OLIGOMERIZATION CATALYST AND PROCESS FOR THE PREPARATION OF OLEFIN OLIGOMER USING IT NIPPON OIL COMPANY, LTD. (JP) 1997-02-19 EP disclosed