SCHEMBL4593365

SCHEMBL4593365

CCOc1cc(CN(c2nc3cccc(OCC(=O)O)c3o2)C2CCNCC2)cc(OCC)c1-n1cccc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.36
HRH1 P35367 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34
SLC6A2 P23975 5/20 0.34
SLC6A4 P31645 5/20 0.34
SLC6A3 Q01959 5/20 0.34
GLA P06280 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KCNH2 Q12809 1/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
TACR1 P25103 3/20 0.33
DHFR P00374 1/20 0.32
TP53 P04637 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 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
SCHEMBL4594237 0.93 SSTR5 (0.36) SSTR5HRH1HRH3SLC6A2SLC6A4
SCHEMBL4594401 0.89 GLA (0.36) SSTR5SLC6A2SLC6A4SLC6A3GLA
SCHEMBL4593502 0.88 REN (0.39) SSTR5HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL4593945 0.87 SSTR5 (0.41) SSTR5HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL4594363 0.83 SSTR5 (0.41) SSTR5HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL4594415 0.83 SSTR5 (0.35) SSTR5HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL4594138 0.82 SSTR5 (0.44) SSTR5HRH1L3MBTL1KCNH2TP53
SCHEMBL4594833 0.81 SSTR5 (0.36) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4593346 0.81 PPARG (0.35) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4593955 0.81 SSTR5 (0.39) SSTR5HRH1SLC6A2SLC6A4SLC6A3

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