SCHEMBL5484816

SCHEMBL5484816

CCOc1cc(CN(c2nc3cc(Cl)c(S(N)(=O)=O)cc3o2)C2CCNCC2)ccc1OC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 9/20 0.48
HRH1 P35367 4/20 0.48
KCNH2 Q12809 3/20 0.35
ALK Q9UM73 5/20 0.34
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
F7 P08709 2/20 0.32
F3 P13726 2/20 0.32
SSTR1 P30872 1/20 0.32
PLK4 O00444 1/20 0.31
BUB1B O60566 1/20 0.31
JAK2 O60674 1/20 0.31
ROCK2 O75116 1/20 0.31
ABL1 P00519 1/20 0.31
EGFR P00533 1/20 0.31
NTRK1 P04629 1/20 0.31
INSR P06213 1/20 0.31
LCK P06239 1/20 0.31
NPM1 P06748 1/20 0.31

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
SCHEMBL5487222 0.92 SSTR5 (0.57) SSTR5HRH1KCNH2SLC6A2SLC6A4
SCHEMBL1380597 0.91 SSTR5 (0.48) SSTR5HRH1KCNH2ALKSLC6A2
SCHEMBL5483662 0.90 SSTR5 (0.47) SSTR5HRH1KCNH2ALKSLC6A2
SCHEMBL5485881 0.90 SSTR5 (0.49) SSTR5HRH1KCNH2SLC6A2SLC6A4
SCHEMBL5485765 0.89 SSTR5 (0.57) SSTR5HRH1KCNH2SLC6A2SLC6A4
SCHEMBL5484170 0.86 SSTR5 (0.56) SSTR5HRH1KCNH2ALKSLC6A2
SCHEMBL5483072 0.85 SSTR5 (0.46) SSTR5HRH1KCNH2ALKSLC6A2
SCHEMBL5486591 0.84 SSTR5 (0.43) SSTR5HRH1KCNH2SLC6A2SLC6A4
SCHEMBL5492473 0.83 SSTR5 (0.43) SSTR5HRH1SSTR1CA12CA1
SCHEMBL5478929 0.82 SSTR5 (0.48) SSTR5HRH1KCNH2SLC6A2SLC6A4

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
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