SCHEMBL4594894

SCHEMBL4594894

CCOc1cc(CN(c2nc3cc(OS(C)(=O)=O)ccc3o2)C2CCNCC2)cc(OCC)c1F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 12/20 0.38
KCNH2 Q12809 6/20 0.38
GRK5 P34947 1/20 0.35
HRH1 P35367 4/20 0.34
SSTR1 P30872 1/20 0.34
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 3/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL4593292 0.92 SSTR5 (0.39) SSTR5KCNH2GRK5HRH1SSTR1
SCHEMBL4593376 0.91 SSTR5 (0.36) SSTR5KCNH2GRK5SSTR1SLC6A2
SCHEMBL4594820 0.86 SSTR5 (0.39) SSTR5KCNH2
SCHEMBL4593907 0.86 SSTR5 (0.37) SSTR5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL5489076 0.86 SSTR5 (0.46) SSTR5KCNH2HRH1SSTR1SLC6A2
SCHEMBL4594329 0.86 SSTR5 (0.42) SSTR5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL5489122 0.85 SSTR5 (0.46) SSTR5KCNH2HRH1SSTR1SLC6A2
SCHEMBL4593823 0.85 SSTR5 (0.37) SSTR5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL4594459 0.85 SSTR5 (0.35) SSTR5KCNH2HRH1SLC6A2SLC6A4
SCHEMBL4594382 0.85 SSTR5 (0.40) SSTR5KCNH2SSTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924579-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP claimed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO claimed
EP-1924579-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed