SCHEMBL5486161

SCHEMBL5486161

CCOc1cc(CN(c2nc3cc(S(N)(=O)=O)ccc3o2)C2CCNCC2)cc(OCC(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
SSTR5 P35346 4/20 0.39
HRH1 P35367 3/20 0.39
SSTR1 P30872 1/20 0.39
KCNH2 Q12809 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 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
SCHEMBL5480915 0.95 SSTR5 (0.42) CTSLCTSBCTSSCTSKSSTR5
SCHEMBL5486940 0.90 MAPT (0.41) CTSLCTSBCTSSCTSKSSTR5
SCHEMBL5478917 0.88 SSTR5 (0.50) CTSLCTSBCTSSCTSKSSTR5
SCHEMBL5490320 0.87 SSTR5 (0.37) CTSLCTSBCTSSCTSKSSTR5
SCHEMBL5481928 0.87 SSTR5 (0.38) CTSLCTSBCTSSCTSKSSTR5
SCHEMBL5489076 0.86 SSTR5 (0.46) CTSLCTSBCTSSCTSKSSTR5
SCHEMBL5478905 0.86 SSTR5 (0.42) SSTR5HRH1KCNH2SLC6A2SLC6A4
SCHEMBL1381121 0.85 SSTR5 (0.54) CTSLCTSBCTSSCTSKSSTR5
SCHEMBL5485759 0.84 SSTR5 (0.45) CTSLCTSBCTSSCTSKSSTR5
SCHEMBL5482380 0.84 SSTR5 (0.50) CTSLCTSBCTSSCTSKSSTR5

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