SCHEMBL8568338

SCHEMBL8568338

BrC(Br)(Br)COC(OCC(Br)(Br)Br)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.36
TAAR1 Q96RJ0 1/20 0.36
SCN1A P35498 3/20 0.34
SCN2A Q99250 3/20 0.34
SCN3A Q9NY46 3/20 0.34
TSHR P16473 3/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
SLC6A4 P31645 2/20 0.34
HRH1 P35367 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2A P08913 1/20 0.34
CHRM1 P11229 1/20 0.34
ADRA2B P18089 1/20 0.34
CHRM3 P20309 1/20 0.34
SLC6A2 P23975 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
SCHEMBL8571623 0.80 TSHR (0.37) HTR2ATAAR1SCN1ASCN2ASCN3A
SCHEMBL8570863 0.80 TACR1 (0.41) HTR2ATAAR1TSHRSLC6A4SLC6A3
SCHEMBL18078672 0.77 TAAR1 (0.42) HTR2ATAAR1SCN1ASCN2ASCN3A
SCHEMBL18074159 0.72 TAAR1 (0.38) HTR2ATAAR1SCN1ASCN2ASCN3A
SCHEMBL27191 0.71 ACHE (0.47) HTR2ASCN1ASCN2ASCN3ATSHR
SCHEMBL28474051 0.71 CYP2D6 (0.41) HTR2ATAAR1SCN1ASCN2ASCN3A
SCHEMBL13233282 0.71 HTR2A (0.39) HTR2ATAAR1SCN1ASCN2ASCN3A
SCHEMBL8570157 0.71 EPHX1 (0.43) TAAR1TSHRCYP1A2CYP2D6SLC6A4
SCHEMBL4384773 0.70 HTT (0.44) HTR2ATAAR1SCN1ASCN2ASCN3A
SCHEMBL11100946 0.70 SLC6A2 (0.50) TSHRCYP1A2CYP2D6SLC6A4SLC6A3

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-5728641-A Catalyst component for the polymerization of olefins NIPPON OIL COMPANY, LIMITED (JP) 1998-03-17 US disclosed
EP-0587440-A2 Catalyst component for the polymerisation of olefins and process for preparing olefin polymers using same NIPPON OIL COMPANY, LIMITED (JP) 1994-03-16 EP disclosed