SCHEMBL4594833

SCHEMBL4594833

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 3/20 0.36
TACR1 P25103 4/20 0.35
HTR2A P28223 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
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
RPS6KA2 Q15349 1/20 0.33
IGF1R P08069 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 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
SCHEMBL4594401 0.92 GLA (0.36) SSTR5TACR1HTR2ASLC6A2SLC6A4
SCHEMBL4594594 0.92 SSTR5 (0.35) SSTR5TACR1HTR2ASLC6A2SLC6A4
SCHEMBL4593955 0.90 SSTR5 (0.39) SSTR5TACR1SLC6A2SLC6A4SLC6A3
SCHEMBL4594237 0.89 SSTR5 (0.36) SSTR5TACR1HTR2ASLC6A2SLC6A4
SCHEMBL5486981 0.87 SSTR5 (0.37) SSTR5TACR1HTR2ASLC6A2SLC6A4
SCHEMBL4593346 0.87 PPARG (0.35) SSTR5HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL4594262 0.85 IRAK4 (0.35) SSTR5TACR1HTR2AKCNH2MEN1
SCHEMBL4594382 0.85 SSTR5 (0.40) SSTR5TACR1HTR2AKCNH2
SCHEMBL4593502 0.83 REN (0.39) SSTR5TACR1SLC6A2SLC6A4SLC6A3
SCHEMBL4594411 0.82 REN (0.43) SSTR5SLC6A2SLC6A4SLC6A3KCNH2

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