SCHEMBL4593259

SCHEMBL4593259

CCOc1cc(CN(c2nc3cccc(S(N)(=O)=O)c3o2)C2CCNCC2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 4/20 0.42
HRH1 P35367 3/20 0.42
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
SLC6A2 P23975 6/20 0.36
SLC6A4 P31645 6/20 0.36
SLC6A3 Q01959 5/20 0.36
KCNH2 Q12809 4/20 0.34
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR6 P50406 2/20 0.33
TACR1 P25103 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL4594289 0.92 SSTR5 (0.39) SSTR5HRH1CA12CA1CA2
SCHEMBL4593454 0.91 SSTR5 (0.42) SSTR5HRH1CA12CA1CA2
SCHEMBL5485765 0.85 SSTR5 (0.57) SSTR5HRH1CA12CA1CA2
SCHEMBL5485960 0.85 SSTR5 (0.38) SSTR5HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL1380432 0.84 SSTR5 (0.45) SSTR5HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL5481894 0.83 SSTR5 (0.38) SSTR5HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL5489244 0.79 SSTR5 (0.47) SSTR5HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL1380597 0.78 SSTR5 (0.48) SSTR5HRH1CA12CA1CA2
SCHEMBL5483662 0.77 SSTR5 (0.47) SSTR5HRH1CA12CA1CA2
SCHEMBL5485881 0.77 SSTR5 (0.49) SSTR5HRH1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924579-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP claimed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO claimed
EP-1924579-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed