SCHEMBL5489237

SCHEMBL5489237

CCOc1cc(CN(c2nc3cccc(C(=O)OC)c3o2)C2CCNCC2)ccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.39
F10 P00742 1/20 0.37
TACR1 P25103 3/20 0.37
CETP P11597 1/20 0.34
CYP2C9 P11712 2/20 0.34
NLRP3 Q96P20 1/20 0.34
MET P08581 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
BDKRB1 P46663 1/20 0.34
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
PRMT5 O14744 1/20 0.33
CASP6 P55212 1/20 0.33
LTB4R Q15722 1/20 0.33

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
SCHEMBL5481894 0.88 SSTR5 (0.38) SSTR5TACR1CETPALDH1A1HTT
SCHEMBL5486670 0.87 CETP (0.39) SSTR5TACR1CETPALDH1A1HTT
SCHEMBL5488867 0.86 SSTR5 (0.38) SSTR5TACR1CETPALDH1A1HTT
SCHEMBL5486981 0.86 SSTR5 (0.37) SSTR5TACR1CETPALDH1A1HTT
SCHEMBL5485921 0.85 PDE10A (0.36) SSTR5F10METSLC6A2SLC6A4
SCHEMBL4866640 0.80 MAPT (0.41) SSTR5ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL5485960 0.80 SSTR5 (0.38) SSTR5TACR1SLC6A2SLC6A4SLC6A3
SCHEMBL5492474 0.79 POLB (0.42) SSTR5ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL5498410 0.79 SLC6A2 (0.38) SSTR5TACR1SLC6A2SLC6A4SLC6A3
SCHEMBL5478920 0.78 LMNA (0.40) SSTR5MET

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