SCHEMBL9856768

SCHEMBL9856768

CNCCC(Cc1cccc(Br)c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.54
SIGMAR1 Q99720 1/20 0.49
HTR2A P28223 2/20 0.47
HRH1 P35367 2/20 0.47
SLC6A4 P31645 9/20 0.46
SLC6A2 P23975 2/20 0.46
CARM1 Q86X55 2/20 0.43
PRMT6 Q96LA8 2/20 0.43
CYP2D6 P10635 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
PRMT8 Q9NR22 1/20 0.39
ATM Q13315 1/20 0.39
PTGES O14684 1/20 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
SCHEMBL8384207 0.85 HTR2A (0.60) TAAR1SIGMAR1HTR2AHRH1SLC6A4
SCHEMBL9857077 0.84 HTR2A (0.49) TAAR1HTR2AHRH1SLC6A4SLC6A2
SCHEMBL9856887 0.84 HTR2A (0.49) TAAR1HTR2AHRH1SLC6A4SLC6A2
SCHEMBL9857036 0.84 HTR2A (0.49) TAAR1HTR2AHRH1SLC6A4SLC6A2
SCHEMBL9856737 0.83 SLC6A4 (0.54) TAAR1HTR2AHRH1SLC6A4SLC6A2
SCHEMBL9856913 0.82 HTR2A (0.46) TAAR1SIGMAR1HTR2AHRH1SLC6A4
SCHEMBL9856490 0.81 CHRM2 (0.56) TAAR1SLC6A4SLC6A2CYP2D6
SCHEMBL9856758 0.81 HTR2A (0.45) TAAR1HTR2AHRH1SLC6A4SLC6A2
SCHEMBL9857406 0.80 CYP2D6 (0.52) SIGMAR1HTR2AHRH1SLC6A4SLC6A2
SCHEMBL9857018 0.79 SLC6A4 (0.46) HTR2AHRH1SLC6A4SLC6A2

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