SCHEMBL4594236

SCHEMBL4594236

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 3/20 0.37
SSTR1 P30872 1/20 0.37
DRD2 P14416 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KDR P35968 1/20 0.33
PPARA Q07869 10/20 0.32
PPARD Q03181 9/20 0.32
PPARG P37231 6/20 0.32
TACR1 P25103 2/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR7 Q9NYK1 1/20 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
SCHEMBL4593823 0.92 SSTR5 (0.37) SSTR5DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL4593907 0.88 SSTR5 (0.37) SSTR5DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL4594449 0.88 SSTR5 (0.36) SSTR5SSTR1DRD2SLC6A2SLC6A4
SCHEMBL4593639 0.87 SSTR5 (0.39) SSTR5SSTR1SLC6A2SLC6A4SLC6A3
SCHEMBL4594219 0.87 SSTR5 (0.36) SSTR5SSTR1DRD2SLC6A2SLC6A4
SCHEMBL4593537 0.87 SSTR5 (0.40) SSTR5SSTR1SLC6A2SLC6A4SLC6A3
SCHEMBL4593292 0.85 SSTR5 (0.39) SSTR5SSTR1SLC6A2SLC6A4SLC6A3
SCHEMBL4593240 0.84 SSTR5 (0.36) SSTR5SSTR1DRD2SLC6A2SLC6A4
SCHEMBL4594338 0.84 SSTR1 (0.39) SSTR5SSTR1KDRTACR1
SCHEMBL4593872 0.84 SSTR5 (0.54) SSTR5SSTR1TACR1

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