SCHEMBL5492466

SCHEMBL5492466

COc1ccc(CN(c2nc3c(C(N)=O)[c]ccc3o2)C2CCNCC2)cc1OCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.38
ALOX15 P16050 1/20 0.36
SSTR5 P35346 1/20 0.36
SLC6A2 P23975 5/20 0.34
SLC6A4 P31645 5/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR2A P28223 2/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
SLC6A3 Q01959 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IKBKB O14920 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32

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) RENSSTR5SLC6A2SLC6A4MAPT
SCHEMBL5486117 0.90 REN (0.41) RENSSTR5SLC6A2SLC6A4MAPT
SCHEMBL5488848 0.85 HTR2A (0.35) SLC6A2SLC6A4LMNAHTR2ASLC6A3
SCHEMBL4863638 0.85 SLC6A2 (0.34) RENSSTR5SLC6A2SLC6A4LMNA
SCHEMBL5488874 0.85 SLC6A2 (0.34) RENSSTR5SLC6A2SLC6A4LMNA
SCHEMBL1378950 0.84 SSTR5 (0.35) SSTR5SLC6A2SLC6A4SLC6A3
SCHEMBL5483629 0.84 SLC6A2 (0.34) RENSSTR5SLC6A2SLC6A4LMNA
SCHEMBL5482006 0.83 SSTR5 (0.32) SSTR5SLC6A2SLC6A4SLC6A3IKBKB
SCHEMBL5486745 0.83 SSTR5 (0.35) SSTR5SLC6A2SLC6A4HTR2ASLC6A3
SCHEMBL5487199 0.80 SSTR5 (0.32) SSTR5

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