SCHEMBL5485903

SCHEMBL5485903

CCOc1cc(CN(c2nc3cc(C(N)=O)ccc3o2)C2CCNCC2)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.46
SSTR5 P35346 12/20 0.45
KCNH2 Q12809 3/20 0.45
MAPK1 P28482 1/20 0.41
HRH1 P35367 4/20 0.40
REN P00797 3/20 0.40
SSTR1 P30872 2/20 0.40
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
HTR2B P41595 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL1380236 0.89 SSTR5 (0.54) HDAC6SSTR5KCNH2MAPK1SSTR1
SCHEMBL5484220 0.88 SSTR5 (0.44) HDAC6SSTR5KCNH2HRH1SSTR1
SCHEMBL4594636 0.87 MAPT (0.46) HDAC6SSTR5KCNH2RENSSTR1
SCHEMBL4594763 0.87 SSTR5 (0.41) HDAC6SSTR5KCNH2HRH1REN
SCHEMBL5484863 0.87 SSTR5 (0.57) HDAC6SSTR5KCNH2HRH1REN
SCHEMBL4594278 0.86 MAPT (0.46) HDAC6SSTR5HRH1RENMAPT
SCHEMBL1379151 0.86 SSTR5 (0.56) HDAC6SSTR5KCNH2HRH1SSTR1
SCHEMBL4594185 0.86 SSTR5 (0.42) HDAC6SSTR5KCNH2HRH1REN
SCHEMBL4593246 0.85 SSTR5 (0.41) HDAC6SSTR5KCNH2HRH1REN
SCHEMBL4593310 0.85 REN (0.41) HDAC6SSTR5KCNH2HRH1REN

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