SCHEMBL4594219

SCHEMBL4594219

CCOc1cc(CN(c2nc3cc(OCC#N)ccc3o2)C2CCNCC2)cc(OCC)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 5/20 0.36
SSTR1 P30872 1/20 0.36
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
IRAK4 Q9NWZ3 1/20 0.33
KDR P35968 1/20 0.32
IKBKB O14920 1/20 0.32
SLC2A1 P11166 1/20 0.31
NOS2 P35228 3/20 0.31
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALDH2 P05091 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL4594459 0.92 SSTR5 (0.35) SSTR5SLC6A2SLC6A4SLC6A3IRAK4
SCHEMBL4593947 0.88 SSTR5 (0.35) SSTR5SSTR1SLC6A2SLC6A4SLC6A3
SCHEMBL4594236 0.87 SSTR5 (0.37) SSTR5SSTR1SLC6A2SLC6A4SLC6A3
SCHEMBL4593639 0.86 SSTR5 (0.39) SSTR5SSTR1SLC6A2SLC6A4SLC6A3
SCHEMBL4593292 0.85 SSTR5 (0.39) SSTR5SSTR1SLC6A2SLC6A4SLC6A3
SCHEMBL4593537 0.85 SSTR5 (0.40) SSTR5SSTR1SLC6A2SLC6A4SLC6A3
SCHEMBL4593880 0.84 SLC6A2 (0.36) SSTR5SLC6A2SLC6A4SLC6A3IRAK4
SCHEMBL4594338 0.83 SSTR1 (0.39) SSTR5SSTR1KDRL3MBTL1KDM4E
SCHEMBL4593872 0.82 SSTR5 (0.54) SSTR5SSTR1L3MBTL1KCNH2TACR1
SCHEMBL4593460 0.81 SSTR5 (0.47) SSTR5SSTR1KDRKCNH2TACR1

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