SCHEMBL8014440

SCHEMBL8014440

CC1(C)CN(c2ccccc2)c2ccccc2S(=O)(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.39
HTR7 P34969 3/20 0.39
HTR2B P41595 3/20 0.39
SIGMAR1 Q99720 3/20 0.39
HTR1A P08908 2/20 0.39
SLC6A2 P23975 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRB3 P13945 1/20 0.39
ADRA2B P18089 1/20 0.39
DRD4 P21917 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ADRB1 P08588 1/20 0.38
ADRA2C P18825 1/20 0.38
HRH2 P25021 1/20 0.38
ADRA1D P25100 1/20 0.38
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 2/20 0.33

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
SCHEMBL8028411 0.81 TMEM97 (0.39) TMEM97HTR7HTR2BSIGMAR1HTR1A
SCHEMBL8024294 0.75 SLC10A2 (0.42) TMEM97HTR7HTR2BSIGMAR1HTR1A
SCHEMBL8014417 0.72 ALDH1A1 (0.44) SLC6A2ALDH1A1MEN1KMT2AGAA
SCHEMBL28859836 0.69 SIGMAR1 (0.43) TMEM97HTR7HTR2BSIGMAR1HTR1A
SCHEMBL8026263 0.67 SLC10A2 (0.41) TMEM97HTR7HTR2BSIGMAR1HTR1A
SCHEMBL29384612 0.66 SLC10A2 (0.34) TMEM97HTR7HTR2BSIGMAR1HTR1A
SCHEMBL8025864 0.66 SLC6A2 (0.48) SLC6A2ALDH1A1SMN1; SMN2
SCHEMBL8013849 0.66 TMEM97 (0.40) TMEM97HTR7HTR2BSIGMAR1HTR1A
SCHEMBL8026281 0.65 SLC10A2 (0.35) TMEM97HTR7HTR2BSIGMAR1HTR1A
SCHEMBL23561017 0.65 GRM5 (0.54) TMEM97SIGMAR1ALDH1A1RAB9AMEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792268-B1 HYPOLIPIDEMIC BENZOTHIAZEPINES WELLCOME FOUND (GB) 2000-02-23 EP claimed
US-5998400-A Hypolipidemic benzothiazepines GLAXO WELLCOME INC. (US) 1999-12-07 US claimed
WO-1996016051-A1 HYPOLIPIDEMIC BENZOTHIAZEPINES THE WELLCOME FOUNDATION LIMITED (GB) 1996-05-30 WO claimed
EP-0792268-B1 HYPOLIPIDEMIC BENZOTHIAZEPINES WELLCOME FOUND (GB) 2000-02-23 EP disclosed
EP-0971744-A2 COMBINATION THERAPY EMPLOYING ILEAL BILE ACID TRANSPORT INHIBITING BENZOTHIEPINES AND HMG Co-A REDUCTASE INHIBITORS G.D. SEARLE & CO. (US) 2000-01-19 EP disclosed
US-5998400-A Hypolipidemic benzothiazepines GLAXO WELLCOME INC. (US) 1999-12-07 US disclosed
WO-1998040375-A2 COMBINATION OF ILEAL BILE ACID TRANSPORT INHIBITING BENZOTHIEPINES AND HMG Co-A REDUCTASE INHIBITORS G.D. SEARLE & CO. (US) 1998-09-17 WO disclosed
EP-0792268-A1 HYPOLIPIDEMIC BENZOTHIAZEPINES THE WELLCOME FOUNDATION LIMITED (GB) 1997-09-03 EP disclosed
WO-1996016051-A1 HYPOLIPIDEMIC BENZOTHIAZEPINES THE WELLCOME FOUNDATION LIMITED (GB) 1996-05-30 WO disclosed