SCHEMBL4593454

SCHEMBL4593454

CCOc1cc(CN(c2nc3cccc(S(N)(=O)=O)c3o2)C2CCNCC2)ccc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 9/20 0.42
HRH1 P35367 4/20 0.42
KCNH2 Q12809 3/20 0.40
HTR2B P41595 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 4/20 0.36
REN P00797 3/20 0.36
MC4R P32245 1/20 0.36
MC5R P33032 1/20 0.36
MC3R P41968 1/20 0.36
MAPT P10636 1/20 0.35
CTSG P08311 1/20 0.35
KLK7 P49862 1/20 0.35
KLK14 Q9P0G3 1/20 0.35
KLK5 Q9Y337 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
SCHEMBL4593259 0.91 SSTR5 (0.42) SSTR5HRH1KCNH2CA12CA1
SCHEMBL4594289 0.89 SSTR5 (0.39) SSTR5HRH1KCNH2CA12CA1
SCHEMBL5487222 0.85 SSTR5 (0.57) SSTR5HRH1KCNH2HTR2BSLC6A2
SCHEMBL4866640 0.85 MAPT (0.41) SSTR5HRH1KCNH2HTR2BSLC6A2
SCHEMBL1379151 0.84 SSTR5 (0.56) SSTR5HRH1KCNH2HTR2BSLC6A2
SCHEMBL5492474 0.84 POLB (0.42) SSTR5HRH1KCNH2HTR2BSLC6A2
SCHEMBL4593502 0.83 REN (0.39) SSTR5HRH1KCNH2HTR2BSLC6A2
SCHEMBL4593955 0.83 SSTR5 (0.39) SSTR5HRH1KCNH2HTR2BSLC6A2
SCHEMBL4594411 0.82 REN (0.43) SSTR5HRH1KCNH2HTR2BSLC6A2
SCHEMBL4593591 0.82 REN (0.43) SSTR5HRH1KCNH2HTR2BSLC6A2

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