SCHEMBL4593292

SCHEMBL4593292

CCOc1cc(CN(c2nc3cc(OS(C)(=O)=O)ccc3o2)C2CCNCC2)cc(OCC)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 12/20 0.39
SSTR1 P30872 2/20 0.39
GRK5 P34947 1/20 0.35
HRH1 P35367 6/20 0.34
KCNH2 Q12809 5/20 0.33
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 3/20 0.33
KDR P35968 1/20 0.33
ALPL P05186 1/20 0.32
ALPI P09923 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
SCHEMBL4594894 0.92 SSTR5 (0.38) SSTR5SSTR1GRK5HRH1KCNH2
SCHEMBL4593376 0.88 SSTR5 (0.36) SSTR5SSTR1GRK5KCNH2SLC6A2
SCHEMBL4593639 0.86 SSTR5 (0.39) SSTR5SSTR1KCNH2SLC6A2SLC6A4
SCHEMBL4594236 0.85 SSTR5 (0.37) SSTR5SSTR1SLC6A2SLC6A4SLC6A3
SCHEMBL4594219 0.85 SSTR5 (0.36) SSTR5SSTR1HRH1KCNH2SLC6A2
SCHEMBL4593537 0.85 SSTR5 (0.40) SSTR5SSTR1HRH1KCNH2SLC6A2
SCHEMBL4593872 0.84 SSTR5 (0.54) SSTR5SSTR1KCNH2
SCHEMBL4593207 0.83 SSTR5 (0.36) SSTR5GRK5KCNH2SLC6A2SLC6A4
SCHEMBL4594338 0.83 SSTR1 (0.39) SSTR5SSTR1KDR
SCHEMBL4593460 0.82 SSTR5 (0.47) SSTR5SSTR1KCNH2KDR

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