SCHEMBL9857006

SCHEMBL9857006

CCCc1ccccc1CC(CCN(C)C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.50
HRH1 P35367 4/20 0.50
SLC6A4 P31645 3/20 0.40
CHRM2 P08172 2/20 0.40
SLC6A2 P23975 2/20 0.40
SCN1A P35498 2/20 0.40
SCN2A Q99250 2/20 0.40
SCN3A Q9NY46 2/20 0.40
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 1/20 0.38
TSHR P16473 1/20 0.38
ADRA2B P18089 1/20 0.38
CHRM3 P20309 1/20 0.38
HRH2 P25021 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL9856740 0.91 HTR2A (0.47) HTR2AHRH1SLC6A4CHRM2SLC6A2
SCHEMBL9856891 0.88 HTR2A (0.53) HTR2AHRH1SLC6A4CHRM2SLC6A2
SCHEMBL9857080 0.82 HTR2A (0.50) HTR2AHRH1SLC6A4CHRM2SLC6A2
SCHEMBL9857086 0.81 HTR2A (0.53) HTR2AHRH1SLC6A4CHRM2SLC6A2
SCHEMBL9856563 0.80 TAAR1 (0.53) HTR2AHRH1SLC6A4CHRM2SLC6A2
SCHEMBL9856513 0.80 TAAR1 (0.53) HTR2AHRH1SLC6A4CHRM2SLC6A2
SCHEMBL9856826 0.80 TAAR1 (0.53) HTR2AHRH1SLC6A4CHRM2SLC6A2
SCHEMBL9856935 0.79 SLC6A2 (0.49) HTR2AHRH1SLC6A4CHRM2SLC6A2
SCHEMBL9856649 0.79 HTR2A (0.41) HTR2AHRH1SLC6A4CHRM2SLC6A2
SCHEMBL9856862 0.78 HTR2A (0.49) HTR2AHRH1SLC6A4CHRM2SLC6A2

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