SCHEMBL4593333

SCHEMBL4593333

CCOc1cc(CN(c2nc3ccnc(CO)c3o2)C2CCNCC2)cc(OCC)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 4/20 0.35
SSTR5 P35346 3/20 0.33
KCNH2 Q12809 2/20 0.32
MC4R P32245 1/20 0.31
HTR2A P28223 2/20 0.31
CYP3A4 P08684 2/20 0.31
MAPK1 P28482 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CHRM1 P11229 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
DRD1 P21728 1/20 0.31
TBXA2R P21731 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
SCHEMBL4594234 0.92 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3SSTR5KCNH2
SCHEMBL4594505 0.90 SSTR5 (0.38) SLC6A2SLC6A4SLC6A3SSTR5KCNH2
SCHEMBL4594415 0.88 SSTR5 (0.35) SLC6A2SLC6A4SLC6A3SSTR5KCNH2
SCHEMBL4593627 0.84 SSTR5 (0.39) SLC6A2SLC6A4SLC6A3SSTR5KCNH2
SCHEMBL5486981 0.83 SSTR5 (0.37) SLC6A2SLC6A4SLC6A3SSTR5KCNH2
SCHEMBL4594303 0.82 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3SSTR5HTR2A
SCHEMBL4594833 0.81 SSTR5 (0.36) SLC6A2SLC6A4SLC6A3SSTR5KCNH2
SCHEMBL4593937 0.81 SSTR5 (0.38) SLC6A2SLC6A4SLC6A3SSTR5KCNH2
SCHEMBL4594401 0.81 GLA (0.36) SLC6A2SLC6A4SLC6A3SSTR5KCNH2
SCHEMBL4594289 0.80 SSTR5 (0.39) SLC6A2SLC6A4SLC6A3SSTR5KCNH2

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