SCHEMBL4594185

SCHEMBL4594185

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 11/20 0.42
HDAC6 Q9UBN7 1/20 0.41
HRH1 P35367 4/20 0.40
SSTR1 P30872 1/20 0.40
KCNH2 Q12809 3/20 0.39
REN P00797 2/20 0.38
HTR2B P41595 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 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
SCHEMBL4594763 0.93 SSTR5 (0.41) SSTR5HDAC6HRH1SSTR1KCNH2
SCHEMBL4593246 0.93 SSTR5 (0.41) SSTR5HDAC6HRH1SSTR1KCNH2
SCHEMBL4594382 0.90 SSTR5 (0.40) SSTR5SSTR1KCNH2KDM4EALDH1A1
SCHEMBL4594029 0.88 SSTR5 (0.41) SSTR5HRH1SSTR1KCNH2CTDSP1
SCHEMBL4593310 0.88 REN (0.41) SSTR5HDAC6HRH1SSTR1KCNH2
SCHEMBL5485903 0.86 HDAC6 (0.46) SSTR5HDAC6HRH1SSTR1KCNH2
SCHEMBL5484863 0.85 SSTR5 (0.57) SSTR5HDAC6HRH1SSTR1KCNH2
SCHEMBL4593955 0.85 SSTR5 (0.39) SSTR5HRH1KCNH2RENHTR2B
SCHEMBL4593573 0.84 SSTR5 (0.39) SSTR5KCNH2
SCHEMBL4594329 0.83 SSTR5 (0.42) SSTR5KCNH2KDM4EUSP2ALDH1A1

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