SCHEMBL4594518

SCHEMBL4594518

CCOc1cc(CN(c2nc3cc(C#N)ccc3o2)C2CCNCC2)cc(OCC)c1F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.38
SLC6A4 P31645 8/20 0.38
SLC6A3 Q01959 7/20 0.38
SSTR5 P35346 3/20 0.37
KCNH2 Q12809 2/20 0.37
IKBKB O14920 1/20 0.35
HTR6 P50406 1/20 0.34
CETP P11597 3/20 0.33
CTSL P07711 2/20 0.33
HTR3A P46098 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
SCHEMBL4594459 0.88 SSTR5 (0.35) SLC6A2SLC6A4SLC6A3SSTR5KCNH2
SCHEMBL5488609 0.88 SSTR5 (0.41) SLC6A2SLC6A4SLC6A3SSTR5IKBKB
SCHEMBL4593627 0.87 SSTR5 (0.39) SLC6A2SLC6A4SLC6A3SSTR5KCNH2
SCHEMBL4593937 0.85 SSTR5 (0.38) SLC6A2SLC6A4SLC6A3SSTR5KCNH2
SCHEMBL4593544 0.85 SSTR5 (0.46) SSTR5KCNH2
SCHEMBL1380236 0.84 SSTR5 (0.54) SSTR5KCNH2
SCHEMBL5489076 0.84 SSTR5 (0.46) SLC6A2SLC6A4SLC6A3SSTR5KCNH2
SCHEMBL4593907 0.84 SSTR5 (0.37) SLC6A2SLC6A4SLC6A3SSTR5KCNH2
SCHEMBL4594591 0.84 GAA (0.42) SSTR5KCNH2
SCHEMBL4593823 0.83 SSTR5 (0.37) SLC6A2SLC6A4SLC6A3SSTR5KCNH2

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 disclosed
EP-1858901-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2007-11-28 EP disclosed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
WO-2006094682-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO disclosed