SCHEMBL4594277

SCHEMBL4594277

CCOc1cc(CN(c2nc3ccc(C(=O)O)cc3o2)C2CCNCC2)cc(OCC)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 7/20 0.45
SSTR1 P30872 3/20 0.39
KCNH2 Q12809 3/20 0.39
MAPT P10636 4/20 0.37
TP53 P04637 3/20 0.37
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
MET P08581 1/20 0.36
LMNA P02545 1/20 0.34
HRH1 P35367 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
TSHR P16473 1/20 0.33
IKBKB O14920 1/20 0.33
CSNK2A1 P68400 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32

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
SCHEMBL4594089 0.92 SSTR5 (0.39) SSTR5SSTR1KCNH2MAPTTP53
SCHEMBL4594604 0.92 SSTR5 (0.54) SSTR5SSTR1KCNH2MAPTTP53
SCHEMBL4594675 0.92 SSTR5 (0.47) SSTR5SSTR1KCNH2MAPTTP53
SCHEMBL1121565 0.89 SSTR5 (0.45) SSTR5SSTR1KCNH2MAPTTP53
SCHEMBL4593649 0.89 SSTR5 (0.46) SSTR5SSTR1KCNH2MAPTTP53
SCHEMBL4594636 0.89 MAPT (0.46) SSTR5SSTR1KCNH2MAPTTP53
SCHEMBL4593723 0.89 SSTR5 (0.55) SSTR5SSTR1KCNH2MAPTTP53
SCHEMBL4594370 0.87 SSTR5 (0.54) SSTR5SSTR1KCNH2
SCHEMBL4593872 0.85 SSTR5 (0.54) SSTR5SSTR1KCNH2MAPTTP53
SCHEMBL4593544 0.85 SSTR5 (0.46) SSTR5SSTR1KCNH2MAPTTP53

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