SCHEMBL4594414

SCHEMBL4594414

CCOc1cc(CN(c2nc3cc(N(Cc4ccc(O)c(OCC)c4)C4CCNCC4)c(C(=O)OC)cc3o2)C2CCNCC2)ccc1O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 10/20 0.37
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 4/20 0.35
KCNH2 Q12809 2/20 0.35
GAA P10253 1/20 0.33
HRH1 P35367 3/20 0.33
HDAC6 Q9UBN7 1/20 0.32
LMNA P02545 1/20 0.32
SSTR1 P30872 2/20 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
SCHEMBL4594469 0.92 SSTR5 (0.36) SSTR5ALDH1A1HTTSMN1; SMN2SLC6A2
SCHEMBL4594457 0.92 SSTR5 (0.39) SSTR5ALDH1A1HTTSMN1; SMN2KCNH2
SCHEMBL4594337 0.92 SSTR5 (0.40) SSTR5ALDH1A1HTTSMN1; SMN2SLC6A2
SCHEMBL4593433 0.89 SSTR5 (0.37) SSTR5ALDH1A1HTTSMN1; SMN2SLC6A2
SCHEMBL4594971 0.89 SSTR5 (0.34) SSTR5ALDH1A1HTTSMN1; SMN2SLC6A2
SCHEMBL4594626 0.88 SSTR5 (0.40) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4594247 0.85 SSTR5 (0.39) SSTR5SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL4594274 0.84 REN (0.41) SSTR5SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL4593649 0.83 SSTR5 (0.46) SSTR5ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL4593242 0.82 EP300 (0.33)

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 2 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 disclosed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed