SCHEMBL5481894

SCHEMBL5481894

CCOc1cc(CN(c2nc3cccc(C(=O)OC)c3o2)C2CCNCC2)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.38
HRH1 P35367 1/20 0.38
SLC6A2 P23975 5/20 0.36
SLC6A4 P31645 5/20 0.36
SLC6A3 Q01959 5/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
TACR1 P25103 4/20 0.34
CETP P11597 1/20 0.34
HTR2A P28223 2/20 0.33
MAPT P10636 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
SCHEMBL5486981 0.92 SSTR5 (0.37) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL5485960 0.92 SSTR5 (0.38) SSTR5HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL5486670 0.91 CETP (0.39) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL5488867 0.91 SSTR5 (0.38) SSTR5HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL5489237 0.88 SSTR5 (0.39) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4866640 0.84 MAPT (0.41) SSTR5HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL5492474 0.83 POLB (0.42) SSTR5HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL4593259 0.83 SSTR5 (0.42) SSTR5HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL5482720 0.83 SLC6A4 (0.36) HRH1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL5498410 0.83 SLC6A2 (0.38) SSTR5SLC6A2SLC6A4SLC6A3KCNH2

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