SCHEMBL5486981

SCHEMBL5486981

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 4/20 0.37
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
KCNH2 Q12809 2/20 0.35
CETP P11597 1/20 0.35
HTR2A P28223 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
TACR1 P25103 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5481894 0.92 SSTR5 (0.38) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL5486670 0.90 CETP (0.39) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL5488867 0.89 SSTR5 (0.38) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4594833 0.87 SSTR5 (0.36) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4594200 0.87 SSTR5 (0.37) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL5489237 0.86 SSTR5 (0.39) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4593433 0.85 SSTR5 (0.37) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4594401 0.85 GLA (0.36) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4594594 0.85 SSTR5 (0.35) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4594262 0.85 IRAK4 (0.35) SSTR5KCNH2HTR2AMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858901-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2007-11-28 EP disclosed
WO-2006094682-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO disclosed