SCHEMBL4593347

SCHEMBL4593347

CCOC(=O)CC(=O)NCc1ccc2oc(N(Cc3cc(OCC)c(F)c(OCC)c3)C3CCNCC3)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 6/20 0.38
KCNH2 Q12809 2/20 0.38
HTR2A P28223 2/20 0.36
MAPT P10636 4/20 0.33
ALOX15 P16050 1/20 0.32
TP53 P04637 3/20 0.32
SSTR1 P30872 1/20 0.32
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL4593389 0.93 SSTR5 (0.39) SSTR5KCNH2HTR2AMAPTTP53
SCHEMBL4595288 0.90 SSTR5 (0.40) SSTR5KCNH2HTR2AMAPTTP53
SCHEMBL4594452 0.86 SSTR5 (0.41) SSTR5KCNH2HTR2ASSTR1PTGDR2
SCHEMBL4594591 0.85 GAA (0.42) SSTR5KCNH2PTGDR2
SCHEMBL4593627 0.84 SSTR5 (0.39) SSTR5KCNH2HTR2ASSTR1PTGDR2
SCHEMBL4593937 0.83 SSTR5 (0.38) SSTR5KCNH2SSTR1PTGDR2SLC6A2
SCHEMBL4594514 0.83 SSTR5 (0.46) SSTR5KCNH2MAPTSSTR1RAB9A
SCHEMBL4593544 0.82 SSTR5 (0.46) SSTR5KCNH2MAPTTP53SSTR1
SCHEMBL4594382 0.82 SSTR5 (0.40) SSTR5KCNH2HTR2AMAPTSSTR1
SCHEMBL1380236 0.82 SSTR5 (0.54) SSTR5KCNH2SSTR1RAB9APTGDR2

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