SCHEMBL4594591

SCHEMBL4594591

CCOc1cc(CN(c2nc3cc(CC(=O)O)ccc3o2)C2CCNCC2)cc(OCC)c1F

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
SSTR5 P35346 3/20 0.40
KCNH2 Q12809 1/20 0.40
PTGDR2 Q9Y5Y4 13/20 0.40
HPSE Q9Y251 3/20 0.35

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
SCHEMBL4594452 0.92 SSTR5 (0.41) GAASSTR5KCNH2PTGDR2
SCHEMBL4593627 0.90 SSTR5 (0.39) SSTR5KCNH2PTGDR2
SCHEMBL4593544 0.89 SSTR5 (0.46) SSTR5KCNH2PTGDR2HPSE
SCHEMBL4593389 0.89 SSTR5 (0.39) SSTR5KCNH2PTGDR2
SCHEMBL4594820 0.89 SSTR5 (0.39) SSTR5KCNH2PTGDR2
SCHEMBL4593937 0.88 SSTR5 (0.38) SSTR5KCNH2PTGDR2
SCHEMBL4594363 0.88 SSTR5 (0.41) GAASSTR5KCNH2PTGDR2HPSE
SCHEMBL4595288 0.88 SSTR5 (0.40) SSTR5KCNH2PTGDR2
SCHEMBL1380236 0.87 SSTR5 (0.54) SSTR5KCNH2PTGDR2
SCHEMBL4594609 0.87 SSTR5 (0.38) SSTR5KCNH2PTGDR2

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