SCHEMBL9857281

SCHEMBL9857281

CN(C)CCC(Cc1c(Br)cccc1Br)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.51
HTR2A P28223 5/20 0.51
TAAR1 Q96RJ0 1/20 0.41
SLC6A4 P31645 6/20 0.41
CHRM2 P08172 5/20 0.41
SLC6A2 P23975 5/20 0.41
SCN1A P35498 3/20 0.41
SCN2A Q99250 3/20 0.41
SCN3A Q9NY46 3/20 0.41
CHRM1 P11229 4/20 0.40
SLC6A3 Q01959 4/20 0.40
DRD1 P21728 3/20 0.40
ADRA2A P08913 2/20 0.40
OPRM1 P35372 2/20 0.40
DRD3 P35462 2/20 0.40
HTR1A P08908 1/20 0.40
TBXA2R P21731 1/20 0.40
KCNH2 Q12809 3/20 0.40
LMNA P02545 3/20 0.40
HRH3 Q9Y5N1 3/20 0.40

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
SCHEMBL9856826 0.84 TAAR1 (0.53) HRH1HTR2ATAAR1SLC6A4CHRM2
SCHEMBL9857056 0.78 HTR2A (0.51) HRH1HTR2ATAAR1SLC6A4SLC6A2
SCHEMBL23138901 0.74 HTR2A (0.64) HRH1HTR2ATAAR1SLC6A4CHRM2
SCHEMBL12300267 0.74 HTR2A (0.64) HRH1HTR2ATAAR1SLC6A4CHRM2
SCHEMBL9856580 0.74 HTR2A (0.43) HRH1HTR2ASLC6A4CHRM2SLC6A2
SCHEMBL9857086 0.73 HTR2A (0.53) HRH1HTR2ASLC6A4CHRM2SLC6A2
SCHEMBL9856891 0.73 HTR2A (0.53) HRH1HTR2ASLC6A4CHRM2SLC6A2
SCHEMBL9856676 0.73 HTR2A (0.53) HRH1HTR2ASLC6A4CHRM2SLC6A2
SCHEMBL9856702 0.73 TAAR1 (0.49) HRH1HTR2ATAAR1SLC6A4CHRM2
SCHEMBL9857027 0.73 HTR2A (0.49) HRH1HTR2ATAAR1SLC6A4CHRM2

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
US-4996235-A Selectively inhibiting the uptake of serotonin and norepinephrine ELI LILLY AND COMPANY (US) 1991-02-26 US disclosed