SCHEMBL4593923

SCHEMBL4593923

CCOC(=O)C1(Oc2ccc3oc(N(Cc4cc(OCC)c(F)c(OCC)c4)C4CCNCC4)nc3c2)CCC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 7/20 0.37
KCNH2 Q12809 2/20 0.37
HTR2A P28223 2/20 0.32
TACR1 P25103 2/20 0.32
ACSL1 P33121 1/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
MC4R P32245 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SSTR1 P30872 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
SCHEMBL4594612 0.94 SSTR5 (0.37) SSTR5KCNH2HTR2AACSL1PTGDR2
SCHEMBL4594466 0.90 SSTR5 (0.38) SSTR5KCNH2TACR1ACSL1SLC6A2
SCHEMBL4594820 0.85 SSTR5 (0.39) SSTR5KCNH2HTR2ATACR1PTGDR2
SCHEMBL4594329 0.84 SSTR5 (0.42) SSTR5KCNH2HTR2ATACR1PTGDR2
SCHEMBL4638433 0.84 SSTR5 (0.38) SSTR5KCNH2ACSL1SLC6A2SLC6A4
SCHEMBL4594382 0.84 SSTR5 (0.40) SSTR5KCNH2HTR2ATACR1PTGDR2
SCHEMBL4593907 0.83 SSTR5 (0.37) SSTR5KCNH2HTR2ASLC6A2SLC6A4
SCHEMBL4594609 0.83 SSTR5 (0.38) SSTR5KCNH2PTGDR2PPARGPPARD
SCHEMBL4593823 0.83 SSTR5 (0.37) SSTR5KCNH2HTR2ASLC6A2SLC6A4
SCHEMBL4594894 0.83 SSTR5 (0.38) SSTR5KCNH2SLC6A2SLC6A4SLC6A3

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