SCHEMBL4593207

SCHEMBL4593207

CC(C)Oc1cc(CN(c2nc3cc(OS(C)(=O)=O)ccc3o2)C2CCNCC2)cc(OC(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.36
GRK5 P34947 1/20 0.35
SLC6A2 P23975 6/20 0.34
SLC6A4 P31645 5/20 0.34
SLC6A3 Q01959 5/20 0.34
KCNH2 Q12809 4/20 0.34
HTR2A P28223 2/20 0.34
MBTPS1 Q14703 2/20 0.34
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
HTR6 P50406 1/20 0.31
PPARA Q07869 5/20 0.31
PPARD Q03181 4/20 0.31
PPARG P37231 2/20 0.31
ALDH1A2 O94788 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
SCHEMBL4594500 0.85 PPARD (0.35) SSTR5SLC6A2SLC6A4SLC6A3PPARA
SCHEMBL4594214 0.84 MAPK1 (0.36) SSTR5SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL4594418 0.84 PPARD (0.37) SSTR5SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL4593880 0.84 SLC6A2 (0.36) SSTR5SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL4594412 0.84 HDAC6 (0.38) SSTR5HTR2AMBTPS1ALDH1A1PPARA
SCHEMBL4594697 0.83 GAA (0.41) SLC6A2SLC6A4SLC6A3HTR2APPARA
SCHEMBL4593394 0.83 SLC6A2 (0.36) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4594555 0.83 TSHR (0.34) SSTR5SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL4594894 0.83 SSTR5 (0.38) SSTR5GRK5SLC6A2SLC6A4SLC6A3
SCHEMBL4593292 0.83 SSTR5 (0.39) SSTR5GRK5SLC6A2SLC6A4SLC6A3

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