SCHEMBL1121565

SCHEMBL1121565

CCOc1cc(CN(c2nc3ccc(C(=O)O)cc3o2)C2CCNCC2)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 8/20 0.45
SSTR1 P30872 2/20 0.39
KCNH2 Q12809 2/20 0.39
MAPT P10636 4/20 0.37
TP53 P04637 3/20 0.37
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 4/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
TACR1 P25103 1/20 0.34

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
SCHEMBL4594255 0.92 SSTR5 (0.39) SSTR5KCNH2MAPTTP53SLC6A2
SCHEMBL4593649 0.92 SSTR5 (0.46) 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
SCHEMBL4594626 0.84 SSTR5 (0.40) SSTR5SSTR1KCNH2MAPTTP53
SCHEMBL4594278 0.84 MAPT (0.46) SSTR5MAPTTP53NPC1RAB9A

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 5 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-B1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-02-09 EP disclosed
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