SCHEMBL8024775

SCHEMBL8024775

CCC1(CC)CSc2ccccc2N(c2ccccc2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.49
ELANE P08246 6/20 0.46
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
THPO P40225 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
SLC6A4 P31645 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8014427 0.90 SLC6A2 (0.52) SLC6A2ELANEALDH1A1SLC6A4HPGD
SCHEMBL8024907 0.82 ALDH1A1 (0.47) SLC6A2ELANEALDH1A1CYP1A2CYP3A4
SCHEMBL21589460 0.79 SLC6A2 (0.39) SLC6A2ELANEALDH1A1MEN1KMT2A
SCHEMBL8024780 0.78 SLC6A2 (0.32) SLC6A2ELANENPSR1
SCHEMBL21586041 0.78 SLC6A2 (0.39) SLC6A2ELANEALDH1A1HPGD
SCHEMBL21585978 0.78 SLC6A2 (0.39) SLC6A2ELANEALDH1A1CYP1A2CYP3A4
SCHEMBL30912761 0.78 SLC6A2 (0.39) SLC6A2ELANEALDH1A1CYP1A2CYP3A4
SCHEMBL8013841 0.77 SLC6A2 (0.44) SLC6A2ELANENPSR1SLC6A4MEN1
SCHEMBL8014423 0.75 SLC6A2 (0.43) SLC6A2ELANEALDH1A1CYP1A2CYP3A4
SCHEMBL22286540 0.72 SLC6A2 (0.40) SLC6A2ELANEALDH1A1NPSR1SLC6A4

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 10 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
EP-0792268-A1 HYPOLIPIDEMIC BENZOTHIAZEPINES THE WELLCOME FOUNDATION LIMITED (GB) 1997-09-03 EP 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