SCHEMBL4593537

SCHEMBL4593537

CCOc1cc(CN(c2nc3cc(O)ccc3o2)C2CCNCC2)cc(OCC)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 6/20 0.40
SSTR1 P30872 1/20 0.40
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
TACR1 P25103 2/20 0.33
IKBKB O14920 1/20 0.33
HRH1 P35367 1/20 0.32
HTR2B P41595 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
KCNH2 Q12809 2/20 0.32
MET P08581 1/20 0.32
KDR P35968 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HCRTR2 O43614 2/20 0.31

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
SCHEMBL4593872 0.88 SSTR5 (0.54) SSTR5SSTR1TACR1KCNH2PTGDR2
SCHEMBL4593460 0.87 SSTR5 (0.47) SSTR5SSTR1TACR1KCNH2KDR
SCHEMBL4594236 0.87 SSTR5 (0.37) SSTR5SSTR1PPARDPPARASLC6A2
SCHEMBL4593639 0.85 SSTR5 (0.39) SSTR5SSTR1SLC6A2SLC6A4SLC6A3
SCHEMBL4593292 0.85 SSTR5 (0.39) SSTR5SSTR1SLC6A2SLC6A4SLC6A3
SCHEMBL4594219 0.85 SSTR5 (0.36) SSTR5SSTR1SLC6A2SLC6A4SLC6A3
SCHEMBL4594675 0.83 SSTR5 (0.47) SSTR5SSTR1SLC6A2SLC6A4SLC6A3
SCHEMBL4594338 0.82 SSTR1 (0.39) SSTR5SSTR1TACR1KDR
SCHEMBL4593912 0.81 SSTR5 (0.41) SSTR5SSTR1TACR1KCNH2
SCHEMBL4593627 0.81 SSTR5 (0.39) SSTR5SSTR1SLC6A2SLC6A4SLC6A3

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