SCHEMBL4593880

SCHEMBL4593880

CC(C)Oc1cc(CN(c2nc3cc(OCC#N)ccc3o2)C2CCNCC2)cc(OC(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.36
SLC6A4 P31645 8/20 0.36
SLC6A3 Q01959 7/20 0.36
SSTR5 P35346 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
HTR2A P28223 1/20 0.32
PPARD Q03181 4/20 0.31
PPARA Q07869 4/20 0.31
PPARG P37231 2/20 0.31
MBTPS1 Q14703 1/20 0.31
CTSL P07711 1/20 0.30
SLC2A1 P11166 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
SCHEMBL4594500 0.88 PPARD (0.35) SLC6A2SLC6A4SLC6A3SSTR5PPARD
SCHEMBL4594418 0.87 PPARD (0.37) SLC6A2SLC6A4SLC6A3SSTR5HTR2A
SCHEMBL4594214 0.85 MAPK1 (0.36) SLC6A2SLC6A4SLC6A3SSTR5IRAK4
SCHEMBL4594555 0.85 TSHR (0.34) SLC6A2SLC6A4SLC6A3SSTR5HTR2A
SCHEMBL4593207 0.84 SSTR5 (0.36) SLC6A2SLC6A4SLC6A3SSTR5HTR2A
SCHEMBL4594459 0.84 SSTR5 (0.35) SLC6A2SLC6A4SLC6A3SSTR5IRAK4
SCHEMBL4594219 0.84 SSTR5 (0.36) SLC6A2SLC6A4SLC6A3SSTR5IRAK4
SCHEMBL4593394 0.82 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3SSTR5HTR2A
SCHEMBL4594412 0.81 HDAC6 (0.38) SSTR5HTR2APPARDPPARAPPARG
SCHEMBL4594697 0.81 GAA (0.41) SLC6A2SLC6A4SLC6A3HTR2APPARD

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