SCHEMBL9856558

SCHEMBL9856558

CCc1cc(Br)cc(CC(CCN(C)C)c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.45
HTR2A P28223 4/20 0.45
CHRM2 P08172 5/20 0.42
SLC6A2 P23975 5/20 0.42
SLC6A4 P31645 5/20 0.42
CHRM1 P11229 5/20 0.42
SLC6A3 Q01959 4/20 0.42
DRD1 P21728 3/20 0.42
ADRA2A P08913 2/20 0.42
OPRM1 P35372 2/20 0.42
DRD3 P35462 2/20 0.42
HTR1A P08908 1/20 0.42
TBXA2R P21731 1/20 0.42
SLC6A9 P48067 1/20 0.39
KCNH2 Q12809 3/20 0.39
LMNA P02545 3/20 0.39
SCN1A P35498 3/20 0.39
SCN2A Q99250 3/20 0.39
SCN3A Q9NY46 3/20 0.39
HRH3 Q9Y5N1 2/20 0.39

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
SCHEMBL9857027 0.85 HTR2A (0.49) HRH1HTR2ACHRM2SLC6A2SLC6A4
SCHEMBL9856945 0.79 HTR2A (0.49) HRH1HTR2ACHRM2SLC6A2SLC6A4
SCHEMBL9856741 0.76 HTR2A (0.49) HRH1HTR2ACHRM2SLC6A2SLC6A4
SCHEMBL9856681 0.76 HTR2A (0.45) HRH1HTR2ACHRM2SLC6A2SLC6A4
SCHEMBL9856663 0.75 HTR2A (0.44) HRH1HTR2ACHRM2SLC6A2SLC6A4
SCHEMBL9857080 0.74 HTR2A (0.50) HRH1HTR2ACHRM2SLC6A2SLC6A4
SCHEMBL9856891 0.74 HTR2A (0.53) HRH1HTR2ACHRM2SLC6A2SLC6A4
SCHEMBL9856676 0.74 HTR2A (0.53) HRH1HTR2ACHRM2SLC6A2SLC6A4
SCHEMBL9856860 0.73 HTR2A (0.49) HRH1HTR2ACHRM2SLC6A2SLC6A4
SCHEMBL9856702 0.73 TAAR1 (0.49) HRH1HTR2ACHRM2SLC6A2SLC6A4

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-4996235-A Selectively inhibiting the uptake of serotonin and norepinephrine ELI LILLY AND COMPANY (US) 1991-02-26 US disclosed
EP-0318233-A2 Improvements in or relating to serotonin and norepinephrine uptake inhibitors ELI LILLY AND COMPANY (US) 1989-05-31 EP disclosed