SCHEMBL11735752

SCHEMBL11735752

CN(C)CCC(CCCCl)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.56
HRH1 P35367 6/20 0.56
CHRM2 P08172 4/20 0.47
SLC6A2 P23975 4/20 0.47
SLC6A4 P31645 4/20 0.47
SCN1A P35498 3/20 0.47
SCN2A Q99250 3/20 0.47
SCN3A Q9NY46 3/20 0.47
CHRM5 P08912 3/20 0.42
CHRM1 P11229 3/20 0.42
ADRA2B P18089 3/20 0.42
HRH2 P25021 3/20 0.42
SLC6A3 Q01959 3/20 0.42
KCNH2 Q12809 3/20 0.42
TSHR P16473 3/20 0.42
CYP2D6 P10635 3/20 0.42
THPO P40225 3/20 0.42
HRH3 Q9Y5N1 2/20 0.42
ADRA1A P35348 2/20 0.42
HTR2B P41595 2/20 0.42

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
Hydrochloric Acid SCHEMBL11735085 0.98 HTR2A (0.55) HTR2AHRH1CHRM2SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL11734245 0.93 HTR2A (0.53) HTR2AHRH1CHRM2SLC6A2SLC6A4
SCHEMBL12300267 0.78 HTR2A (0.64) HTR2AHRH1CHRM2SLC6A2SLC6A4
SCHEMBL23138901 0.78 HTR2A (0.64) HTR2AHRH1CHRM2SLC6A2SLC6A4
SCHEMBL7302725 0.77 HRH1 (0.39) HTR2AHRH1TSHRCYP2D6SIGMAR1
SCHEMBL11569538 0.77 HTR2A (0.65) HTR2AHRH1CHRM2SLC6A2SLC6A4
SCHEMBL28256789 0.77 HDAC3 (0.38) HTR2AHRH1TSHRCYP2D6LMNA
SCHEMBL28258221 0.77 HDAC3 (0.38) HTR2AHRH1TSHRCYP2D6LMNA
SCHEMBL11188504 0.75 SIGMAR1 (0.61) HTR2AHRH1CHRM2SLC6A2SLC6A4
SCHEMBL11583390 0.75 HTR2A (0.61) HTR2AHRH1CHRM2SLC6A2SLC6A4

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-4031245-A TETRABENAZINE, ANTIDEPRESSANTS A. H. ROBINS COMPANY, INCORPORATED (US) 1977-06-21 US claimed
US-3978129-A TETRABENAZINE ANTAGONISM A. H. ROBINS COMPANY, INCORPORATED (US) 1976-08-31 US claimed