SCHEMBL4594926

SCHEMBL4594926

CCOc1cc(CN(c2nc3c(C(=O)OC)c(N(Cc4cc(OCC)c(F)c(OCC)c4)C4CCNCC4)ccc3o2)C2CCNCC2)cc(OCC)c1F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 9/20 0.37
KCNH2 Q12809 2/20 0.37
HTR2A P28223 2/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
MC4R P32245 1/20 0.31
SSTR1 P30872 1/20 0.30
TACR1 P25103 1/20 0.30
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL4594721 0.90 SSTR5 (0.39) SSTR5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL4594292 0.89 SSTR5 (0.39) SSTR5KCNH2HTR2ASLC6A2SLC6A4
SCHEMBL4594200 0.87 SSTR5 (0.37) SSTR5KCNH2HTR2ASLC6A2SLC6A4
SCHEMBL4594514 0.86 SSTR5 (0.46) SSTR5KCNH2SSTR1ALOX5APFEN1
SCHEMBL4593433 0.84 SSTR5 (0.37) SSTR5KCNH2HTR2ASLC6A2SLC6A4
SCHEMBL4593756 0.83 SSTR5 (0.47) SSTR5KCNH2SSTR1ALOX5APFEN1
SCHEMBL4593471 0.82 SSTR5 (0.38) SSTR5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL4594452 0.82 SSTR5 (0.41) SSTR5KCNH2HTR2ASLC6A2SLC6A4
SCHEMBL4593624 0.81 SSTR5 (0.35) SSTR5KCNH2HTR2ATACR1
SCHEMBL4593544 0.81 SSTR5 (0.46) SSTR5KCNH2SSTR1

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-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