SCHEMBL4594303

SCHEMBL4594303

CC(C)Oc1cc(CN(c2nc3ccnc(CO)c3o2)C2CCNCC2)cc(OC(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 2/20 0.37
HTR2A P28223 3/20 0.33
MBTPS1 Q14703 1/20 0.31
IRAK4 Q9NWZ3 4/20 0.31
SSTR5 P35346 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
FAAH O00519 1/20 0.31
SLC6A9 P48067 1/20 0.31
SLC6A5 Q9Y345 1/20 0.31
BRD4 O60885 1/20 0.31
FGFR1 P11362 1/20 0.30
FGFR2 P21802 1/20 0.30
FGFR4 P22455 1/20 0.30
FGFR3 P22607 1/20 0.30
KDR P35968 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
SCHEMBL4594234 0.82 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3SSTR5
SCHEMBL4593333 0.82 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3HTR2ASSTR5
SCHEMBL4593394 0.80 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3HTR2AMBTPS1
SCHEMBL4594418 0.80 PPARD (0.37) SLC6A2SLC6A4SLC6A3HTR2ASSTR5
SCHEMBL4594415 0.79 SSTR5 (0.35) SLC6A2SLC6A4SLC6A3HTR2ASSTR5
SCHEMBL4594505 0.78 SSTR5 (0.38) SLC6A2SLC6A4SLC6A3SSTR5
SCHEMBL4594555 0.77 TSHR (0.34) SLC6A2SLC6A4SLC6A3HTR2AMBTPS1
SCHEMBL4594611 0.76 TP53 (0.38) SLC6A2SLC6A4SLC6A3HTR2AMBTPS1
SCHEMBL4593462 0.76 RAB9A (0.40) HTR2AMBTPS1SSTR5
SCHEMBL4594412 0.76 HDAC6 (0.38) HTR2AMBTPS1SSTR5PPARGPPARD

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