SCHEMBL4594237

SCHEMBL4594237

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 4/20 0.36
HRH1 P35367 2/20 0.36
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 4/20 0.33
KCNH2 Q12809 1/20 0.33
TACR1 P25103 3/20 0.33
IGF1R P08069 1/20 0.33
MAPT P10636 2/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
DHFR P00374 1/20 0.31
USP2 O75604 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL4593365 0.93 SSTR5 (0.36) SSTR5HRH1CHRNB2CHRNA7CHRNA4
SCHEMBL4594833 0.89 SSTR5 (0.36) SSTR5CHRNB2CHRNA7CHRNA4SLC6A2
SCHEMBL4593955 0.89 SSTR5 (0.39) SSTR5HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL4594029 0.87 SSTR5 (0.41) SSTR5HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL4593393 0.84 SSTR5 (0.42) SSTR5HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL4594415 0.83 SSTR5 (0.35) SSTR5HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL4593502 0.82 REN (0.39) SSTR5HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL4594401 0.82 GLA (0.36) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4594411 0.81 REN (0.43) SSTR5HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL4593843 0.81 SSTR5 (0.43) SSTR5HRH1KCNH2

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