SCHEMBL5488609

SCHEMBL5488609

CCOc1cc(CN(c2nc3cc(C#N)ccc3o2)C2CCNCC2)cc(OCC)c1-n1cccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 4/20 0.41
HRH1 P35367 2/20 0.41
SLC6A2 P23975 8/20 0.37
SLC6A4 P31645 8/20 0.37
SLC6A3 Q01959 7/20 0.37
IKBKB O14920 1/20 0.34
HTR6 P50406 1/20 0.34
DHFR P00374 1/20 0.33
USP30 Q70CQ3 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
CETP P11597 1/20 0.31
HTR2B P41595 1/20 0.31
MAPKAPK2 P49137 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
SCHEMBL4594518 0.88 SLC6A2 (0.38) SSTR5SLC6A2SLC6A4SLC6A3IKBKB
SCHEMBL4594138 0.86 SSTR5 (0.44) SSTR5HRH1
SCHEMBL5484220 0.85 SSTR5 (0.44) SSTR5HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL1378217 0.85 SSTR5 (0.49) SSTR5HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL4594363 0.85 SSTR5 (0.41) SSTR5HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL4593843 0.85 SSTR5 (0.43) SSTR5HRH1
SCHEMBL4593945 0.84 SSTR5 (0.41) SSTR5HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL4593393 0.84 SSTR5 (0.42) SSTR5HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL4594029 0.83 SSTR5 (0.41) SSTR5HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL3980020 0.81 JAK2 (0.37) 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 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