SCHEMBL4594466

SCHEMBL4594466

CCOC(=O)C1(Oc2ccc3oc(N(Cc4cc(OCC)c(-n5cccc5)c(OCC)c4)C4CCNCC4)nc3c2)CCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 6/20 0.38
HRH1 P35367 2/20 0.38
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
ACSL1 P33121 1/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
KCNH2 Q12809 1/20 0.31
TACR1 P25103 1/20 0.30
SSTR1 P30872 2/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL4638433 0.95 SSTR5 (0.38) SSTR5HRH1ACSL1SLC6A2SLC6A4
SCHEMBL4593923 0.90 SSTR5 (0.37) SSTR5ACSL1SLC6A2SLC6A4SLC6A3
SCHEMBL4593945 0.86 SSTR5 (0.41) SSTR5HRH1MAPTACSL1SLC6A2
SCHEMBL4594029 0.85 SSTR5 (0.41) SSTR5HRH1MAPTSLC6A2SLC6A4
SCHEMBL4594612 0.84 SSTR5 (0.37) SSTR5ACSL1SLC6A2SLC6A4SLC6A3
SCHEMBL4594138 0.84 SSTR5 (0.44) SSTR5HRH1NPC1MAPTRAB9A
SCHEMBL5484220 0.83 SSTR5 (0.44) SSTR5HRH1NPC1RAB9ASLC6A2
SCHEMBL4594363 0.83 SSTR5 (0.41) SSTR5HRH1GAASLC6A2SLC6A4
SCHEMBL4593843 0.82 SSTR5 (0.43) SSTR5HRH1NPC1RAB9AKCNH2
SCHEMBL4593393 0.82 SSTR5 (0.42) SSTR5HRH1NPC1GAAMAPK1

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