SCHEMBL9856935

SCHEMBL9856935

CCCOc1ccccc1CC(CCN(C)C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 2/20 0.49
KCNH2 Q12809 2/20 0.49
DRD2 P14416 2/20 0.48
DRD1 P21728 2/20 0.48
DRD4 P21917 1/20 0.48
DRD5 P21918 1/20 0.48
HRH1 P35367 5/20 0.47
HTR2A P28223 2/20 0.44
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
HTR7 P34969 1/20 0.40
DRD3 P35462 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
ADRA2A P08913 1/20 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
SCHEMBL9856862 0.83 HTR2A (0.49) SLC6A2SLC6A4SLC6A3KCNH2DRD2
SCHEMBL9857006 0.79 HTR2A (0.50) SLC6A2SLC6A4SLC6A3KCNH2HRH1
SCHEMBL9856891 0.79 HTR2A (0.53) SLC6A2SLC6A4SLC6A3KCNH2HRH1
SCHEMBL9856740 0.77 HTR2A (0.47) SLC6A2SLC6A4SLC6A3KCNH2HRH1
SCHEMBL9857086 0.76 HTR2A (0.53) SLC6A2SLC6A4SLC6A3KCNH2DRD1
SCHEMBL3058007 0.75 DRD2 (0.55) DRD2DRD1DRD4DRD5HRH1
SCHEMBL9857001 0.75 SLC6A4 (0.40) SLC6A2SLC6A4KDM4ESMN1; SMN2
SCHEMBL9856826 0.75 TAAR1 (0.53) SLC6A2SLC6A4SLC6A3KCNH2DRD1
SCHEMBL9856563 0.75 TAAR1 (0.53) SLC6A2SLC6A4SLC6A3KCNH2HRH1
SCHEMBL9856513 0.75 TAAR1 (0.53) SLC6A2SLC6A4SLC6A3KCNH2HRH1

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