SCHEMBL4863638

SCHEMBL4863638

CCOc1cc(CN(c2nc3c(C(N)=O)[c]ccc3o2)C2CCNCC2)ccc1C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.34
SLC6A4 P31645 6/20 0.34
SLC6A3 Q01959 5/20 0.34
KCNH2 Q12809 3/20 0.34
SSTR5 P35346 3/20 0.32
TACR1 P25103 3/20 0.32
IKBKB O14920 1/20 0.31
REN P00797 1/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5484199 0.92 REN (0.39) SLC6A2SLC6A4SLC6A3KCNH2SSTR5
SCHEMBL5488874 0.92 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3KCNH2SSTR5
SCHEMBL1378950 0.92 SSTR5 (0.35) SLC6A2SLC6A4SLC6A3KCNH2SSTR5
SCHEMBL5483629 0.92 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3KCNH2SSTR5
SCHEMBL5482006 0.91 SSTR5 (0.32) SLC6A2SLC6A4SLC6A3KCNH2SSTR5
SCHEMBL5486745 0.90 SSTR5 (0.35) SLC6A2SLC6A4SLC6A3KCNH2SSTR5
SCHEMBL5487199 0.87 SSTR5 (0.32) KCNH2SSTR5
SCHEMBL5488923 0.87 SSTR5 (0.30) KCNH2SSTR5
SCHEMBL5486955 0.86
SCHEMBL5492466 0.85 REN (0.38) SLC6A2SLC6A4SLC6A3SSTR5IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008532963-A 2008-08-21 JP claimed
EP-1858901-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2007-11-28 EP claimed
WO-2006094682-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO claimed
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