SCHEMBL4594089

SCHEMBL4594089

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 6/20 0.39
MAPT P10636 5/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 2/20 0.37
MET P08581 1/20 0.35
SSTR1 P30872 2/20 0.34
KCNH2 Q12809 2/20 0.34
HRH1 P35367 1/20 0.34
GRK2 P25098 1/20 0.34
GRK5 P34947 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
CREBBP Q92793 1/20 0.33
ROCK2 O75116 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 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
SCHEMBL4593912 0.92 SSTR5 (0.41) SSTR5MAPTTP53LMNASSTR1
SCHEMBL4593756 0.92 SSTR5 (0.47) SSTR5MAPTTP53LMNASSTR1
SCHEMBL4594277 0.92 SSTR5 (0.45) SSTR5MAPTTP53LMNAMET
SCHEMBL4594278 0.90 MAPT (0.46) SSTR5MAPTTP53LMNAHRH1
SCHEMBL4594626 0.90 SSTR5 (0.40) SSTR5MAPTTP53LMNASSTR1
SCHEMBL4594255 0.90 SSTR5 (0.39) SSTR5MAPTTP53LMNAKCNH2
SCHEMBL4593368 0.89 SSTR5 (0.48) SSTR5MAPTTP53LMNASSTR1
SCHEMBL4594097 0.88 SSTR5 (0.48) SSTR5SSTR1KCNH2
SCHEMBL4594971 0.87 SSTR5 (0.34) SSTR5MAPTSSTR1KCNH2HRH1
SCHEMBL4594514 0.85 SSTR5 (0.46) SSTR5MAPTSSTR1KCNH2ALOX5AP

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