SCHEMBL4594763

SCHEMBL4594763

CCOc1cc(CN(c2nc3cc(OCC(=O)O)ccc3o2)C2CCNCC2)ccc1OC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 10/20 0.41
HDAC6 Q9UBN7 1/20 0.40
PPARA Q07869 1/20 0.39
REN P00797 3/20 0.39
HRH1 P35367 4/20 0.39
SSTR1 P30872 1/20 0.39
KCNH2 Q12809 3/20 0.38
HTR2B P41595 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
FKBP1A P62942 1/20 0.35

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
SCHEMBL4594185 0.93 SSTR5 (0.42) SSTR5HDAC6RENHRH1SSTR1
SCHEMBL4593310 0.92 REN (0.41) SSTR5HDAC6PPARARENHRH1
SCHEMBL4594820 0.89 SSTR5 (0.39) SSTR5PPARAKCNH2
SCHEMBL4593246 0.89 SSTR5 (0.41) SSTR5HDAC6PPARARENHRH1
SCHEMBL4593945 0.87 SSTR5 (0.41) SSTR5HDAC6PPARAHRH1SSTR1
SCHEMBL5485903 0.87 HDAC6 (0.46) SSTR5HDAC6RENHRH1SSTR1
SCHEMBL4593502 0.85 REN (0.39) SSTR5RENHRH1KCNH2HTR2B
SCHEMBL5484863 0.85 SSTR5 (0.57) SSTR5HDAC6RENHRH1SSTR1
SCHEMBL4594329 0.84 SSTR5 (0.42) SSTR5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL4593639 0.84 SSTR5 (0.39) SSTR5SSTR1KCNH2SLC6A2SLC6A4

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