SCHEMBL4593363

SCHEMBL4593363

CCOc1cc(CN(c2nc3c(C(=O)OC)cccc3o2)C2CCNCC2)cc(OCC)c1-n1cccc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 3/20 0.37
HRH1 P35367 2/20 0.37
HTR3A P46098 4/20 0.36
TOP2A P11388 2/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNH2 Q12809 1/20 0.32
DHFR P00374 1/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTR2B P41595 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
SCHEMBL4593932 0.92 SSTR5 (0.38) SSTR5HRH1HTR3ASLC6A2SLC6A4
SCHEMBL4594275 0.90 HTR3A (0.36) SSTR5HRH1HTR3ASLC6A2SLC6A4
SCHEMBL4593884 0.89 HTR3A (0.37) SSTR5HRH1HTR3ASLC6A2SLC6A4
SCHEMBL4594200 0.89 SSTR5 (0.37) SSTR5HTR3ATOP2ASLC6A2SLC6A4
SCHEMBL4594292 0.89 SSTR5 (0.39) SSTR5HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL4594360 0.88 MAPT (0.41) SSTR5HRH1HTR3ATOP2ASLC6A2
SCHEMBL4593843 0.87 SSTR5 (0.43) SSTR5HRH1KCNH2
SCHEMBL4593584 0.86 SSTR5 (0.35) SSTR5HRH1LMNASMN1; SMN2USP2
SCHEMBL4593393 0.82 SSTR5 (0.42) SSTR5HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL4594116 0.81 MAPT (0.41) 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