SCHEMBL4593649

SCHEMBL4593649

CCOc1cc(CN(c2nc3ccc(C(=O)O)cc3o2)C2CCNCC2)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 5/20 0.46
SSTR1 P30872 2/20 0.39
KCNH2 Q12809 2/20 0.39
MAPT P10636 4/20 0.37
TP53 P04637 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 4/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4594626 0.92 SSTR5 (0.40) SSTR5SSTR1KCNH2MAPTTP53
SCHEMBL1121565 0.92 SSTR5 (0.45) SSTR5SSTR1KCNH2MAPTTP53
SCHEMBL4593723 0.91 SSTR5 (0.55) SSTR5SSTR1KCNH2MAPTTP53
SCHEMBL4594636 0.91 MAPT (0.46) SSTR5SSTR1KCNH2MAPTTP53
SCHEMBL4594277 0.89 SSTR5 (0.45) SSTR5SSTR1KCNH2MAPTTP53
SCHEMBL4594675 0.89 SSTR5 (0.47) SSTR5SSTR1KCNH2MAPTTP53
SCHEMBL4594604 0.89 SSTR5 (0.54) SSTR5SSTR1KCNH2MAPTTP53
SCHEMBL4594370 0.85 SSTR5 (0.54) SSTR5SSTR1KCNH2
SCHEMBL4594278 0.84 MAPT (0.46) SSTR5MAPTTP53NPC1RAB9A
SCHEMBL4594255 0.84 SSTR5 (0.39) SSTR5KCNH2MAPTTP53NPC1

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