SCHEMBL4594029

SCHEMBL4594029

CCOc1cc(CN(c2nc3cc(OCC(=O)OC)ccc3o2)C2CCNCC2)cc(OCC)c1-n1cccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 9/20 0.41
HRH1 P35367 2/20 0.41
TACR1 P25103 3/20 0.33
PPARG P37231 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
SSTR1 P30872 2/20 0.33
GCG P01275 1/20 0.32
GCGR P47871 1/20 0.32
GIPR P48546 1/20 0.32
KCNH2 Q12809 3/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
IGF1R P08069 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 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
SCHEMBL4593945 0.93 SSTR5 (0.41) SSTR5HRH1TACR1MAPTTHRB
SCHEMBL4593393 0.90 SSTR5 (0.42) SSTR5HRH1PPARGSSTR1KCNH2
SCHEMBL4594382 0.89 SSTR5 (0.40) SSTR5TACR1MAPTTHRBSSTR1
SCHEMBL4594185 0.88 SSTR5 (0.42) SSTR5HRH1SSTR1KCNH2CTDSP1
SCHEMBL4593843 0.88 SSTR5 (0.43) SSTR5HRH1SSTR1KCNH2
SCHEMBL4594237 0.87 SSTR5 (0.36) SSTR5HRH1TACR1MAPTKCNH2
SCHEMBL4594138 0.86 SSTR5 (0.44) SSTR5HRH1MAPTSSTR1KCNH2
SCHEMBL5484220 0.85 SSTR5 (0.44) SSTR5HRH1SSTR1KCNH2SLC6A2
SCHEMBL4594363 0.85 SSTR5 (0.41) SSTR5HRH1SSTR1KCNH2SLC6A2
SCHEMBL4594466 0.85 SSTR5 (0.38) SSTR5HRH1TACR1MAPTSSTR1

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