SCHEMBL4594401

SCHEMBL4594401

CCOc1cc(CN(c2nc3cccc(OCC(=O)O)c3o2)C2CCNCC2)cc(OCC)c1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TACR1 P25103 4/20 0.36
SSTR5 P35346 3/20 0.36
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 4/20 0.35
KCNH2 Q12809 2/20 0.35
HTR2A P28223 2/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL4594833 0.92 SSTR5 (0.36) TACR1SSTR5SLC6A2SLC6A4SLC6A3
SCHEMBL4593346 0.91 PPARG (0.35) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4593365 0.89 SSTR5 (0.36) GLAL3MBTL1TACR1SSTR5SLC6A2
SCHEMBL4593502 0.89 REN (0.39) TACR1SSTR5SLC6A2SLC6A4SLC6A3
SCHEMBL4594594 0.87 SSTR5 (0.35) TACR1SSTR5SLC6A2SLC6A4SLC6A3
SCHEMBL5486981 0.85 SSTR5 (0.37) TACR1SSTR5SLC6A2SLC6A4SLC6A3
SCHEMBL4594820 0.85 SSTR5 (0.39) L3MBTL1TACR1SSTR5KCNH2HTR2A
SCHEMBL4594262 0.84 IRAK4 (0.35) TACR1SSTR5KCNH2HTR2AMEN1
SCHEMBL4594289 0.83 SSTR5 (0.39) TACR1SSTR5SLC6A2SLC6A4SLC6A3
SCHEMBL4593955 0.82 SSTR5 (0.39) TACR1SSTR5SLC6A2SLC6A4SLC6A3

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