SCHEMBL4944644

SCHEMBL4944644

COc1cc(CN(c2nc3cc(S(=O)(=O)N(C)C)ccc3o2)C2CCNCC2)c(OCc2ccccc2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.41
TLR9 Q9NR96 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
HRH1 P35367 1/20 0.36
LRRK2 Q5S007 1/20 0.36
HTR2C P28335 2/20 0.35
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
PDE4A P27815 4/20 0.35
PDE4B Q07343 4/20 0.35
PDE4C Q08493 4/20 0.35
PDE4D Q08499 4/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL5481883 0.91 SSTR5 (0.43) SSTR5HRH1ALDH1A1CRHBPCRHR2
SCHEMBL5486159 0.85 SSTR5 (0.49) SSTR5HRH1HIF1AEPAS1ALDH1A1
SCHEMBL5485488 0.82 SSTR5 (0.57) SSTR5HRH1ALDH1A1CRHBPCRHR2
SCHEMBL5487219 0.81 SSTR5 (0.51) SSTR5HRH1ALDH1A1CRHBPCRHR2
SCHEMBL5483683 0.81 SSTR5 (0.49) SSTR5HRH1ALDH1A1CRHBPCRHR2
SCHEMBL5478905 0.77 SSTR5 (0.42) SSTR5HRH1ALDH1A1MAPK1HTT
SCHEMBL5487207 0.77 SSTR5 (0.40) SSTR5HRH1ALDH1A1TSHRMAPK1
SCHEMBL5489122 0.77 SSTR5 (0.46) SSTR5HRH1ALDH1A1TSHRMAPK1
SCHEMBL5484896 0.77 SSTR5 (0.46) SSTR5HRH1ALDH1A1MAPK1HTT
SCHEMBL5486209 0.76 SSTR5 (0.47) SSTR5HRH1ALDH1A1CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858901-B1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2008-11-05 EP disclosed