SCHEMBL1380432

SCHEMBL1380432

CCOc1cc(CN(c2nc3cc(S(N)(=O)=O)ccc3o2)C2CCNCC2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 9/20 0.45
HRH1 P35367 5/20 0.45
KCNH2 Q12809 2/20 0.45
SSTR1 P30872 1/20 0.45
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 3/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL5482380 0.93 SSTR5 (0.50) SSTR5HRH1KCNH2SSTR1SLC6A2
SCHEMBL5489076 0.92 SSTR5 (0.46) SSTR5HRH1KCNH2SSTR1SLC6A2
SCHEMBL5489244 0.91 SSTR5 (0.47) SSTR5HRH1KCNH2SSTR1SLC6A2
SCHEMBL1379344 0.91 SSTR5 (0.45) SSTR5HRH1KCNH2SSTR1SLC6A2
SCHEMBL5489141 0.91 SSTR5 (0.47) SSTR5HRH1KCNH2SSTR1SLC6A2
SCHEMBL1381559 0.91 SSTR5 (0.44) SSTR5HRH1KCNH2SSTR1SLC6A2
SCHEMBL1379151 0.91 SSTR5 (0.56) SSTR5HRH1KCNH2SSTR1SLC6A2
SCHEMBL5493265 0.91 SSTR5 (0.56) SSTR5HRH1KCNH2SSTR1SLC6A2
SCHEMBL1381121 0.90 SSTR5 (0.54) SSTR5HRH1KCNH2SSTR1SLC6A2
SCHEMBL5485759 0.88 SSTR5 (0.45) SSTR5HRH1KCNH2SSTR1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4708474-B2 2011-06-22 JP claimed
JP-2008532963-A 2008-08-21 JP claimed
EP-1858901-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2007-11-28 EP claimed
WO-2006094682-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO claimed
EP-1858901-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2007-11-28 EP disclosed
WO-2006094682-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO disclosed