SCHEMBL4593937

SCHEMBL4593937

CCOc1cc(CN(c2nc3cc(CCO)ccc3o2)C2CCNCC2)cc(OCC)c1F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 11/20 0.38
KCNH2 Q12809 2/20 0.38
SLC6A4 P31645 4/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A3 Q01959 3/20 0.35
HRH1 P35367 1/20 0.33
PTGDR2 Q9Y5Y4 3/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
SSTR1 P30872 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
SCHEMBL4593627 0.93 SSTR5 (0.39) SSTR5KCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL4594591 0.88 GAA (0.42) SSTR5KCNH2PTGDR2
SCHEMBL4593907 0.88 SSTR5 (0.37) SSTR5KCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL4593823 0.88 SSTR5 (0.37) SSTR5KCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL4594452 0.87 SSTR5 (0.41) SSTR5KCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL4595288 0.86 SSTR5 (0.40) SSTR5KCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL4593544 0.86 SSTR5 (0.46) SSTR5KCNH2PTGDR2SSTR1
SCHEMBL4594518 0.85 SLC6A2 (0.38) SSTR5KCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL1380236 0.85 SSTR5 (0.54) SSTR5KCNH2PTGDR2SSTR1
SCHEMBL4594514 0.84 SSTR5 (0.46) SSTR5KCNH2PTGDR2S1PR1S1PR3

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