SCHEMBL5486117

SCHEMBL5486117

COc1ccc(CN(c2nc3c(C(N)=O)[c]ccc3o2)C2CCNCC2)cc1OCCF

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.41
PDE10A Q9Y233 12/20 0.36
PDE3B Q13370 4/20 0.36
PDE3A Q14432 4/20 0.36
SSTR5 P35346 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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) RENSSTR5LMNAMAPTTHRB
SCHEMBL5492466 0.90 REN (0.38) RENSSTR5LMNAMAPTTHRB
SCHEMBL5483629 0.85 SLC6A2 (0.34) RENSSTR5LMNASLC6A2SLC6A4
SCHEMBL4863638 0.84 SLC6A2 (0.34) RENSSTR5LMNASLC6A2SLC6A4
SCHEMBL5488874 0.84 SLC6A2 (0.34) RENSSTR5LMNASLC6A2SLC6A4
SCHEMBL5482006 0.84 SSTR5 (0.32) SSTR5SLC6A2SLC6A4SLC6A3
SCHEMBL5486745 0.84 SSTR5 (0.35) SSTR5SLC6A2SLC6A4SLC6A3
SCHEMBL1378950 0.84 SSTR5 (0.35) SSTR5SLC6A2SLC6A4SLC6A3
SCHEMBL4594422 0.80 REN (0.42) RENPDE10APDE3BPDE3ASSTR5
SCHEMBL5487199 0.79 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