SCHEMBL4593639

SCHEMBL4593639

CCOc1cc(CN(c2nc3cc(OCC(N)=O)ccc3o2)C2CCNCC2)cc(OCC)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 3/20 0.39
SSTR1 P30872 1/20 0.39
TACR1 P25103 7/20 0.37
KDR P35968 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
KCNH2 Q12809 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
SLC6A4 P31645 2/20 0.34
ENPP2 Q13822 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL4594329 0.92 SSTR5 (0.42) SSTR5TACR1ALDH1A1LMNAMAPK1
SCHEMBL4594338 0.89 SSTR1 (0.39) SSTR5SSTR1TACR1KDRALDH1A1
SCHEMBL4594815 0.88 NPC1 (0.40) SSTR5SSTR1TACR1KCNH2
SCHEMBL4594236 0.87 SSTR5 (0.37) SSTR5SSTR1TACR1KDRSLC6A4
SCHEMBL4593292 0.86 SSTR5 (0.39) SSTR5SSTR1KDRKCNH2SLC6A4
SCHEMBL4594219 0.86 SSTR5 (0.36) SSTR5SSTR1TACR1KDRALDH1A1
SCHEMBL4593872 0.85 SSTR5 (0.54) SSTR5SSTR1TACR1KCNH2
SCHEMBL4593537 0.85 SSTR5 (0.40) SSTR5SSTR1TACR1KDRKCNH2
SCHEMBL4594820 0.85 SSTR5 (0.39) SSTR5TACR1KCNH2
SCHEMBL4594214 0.84 MAPK1 (0.36) SSTR5TACR1ALDH1A1MAPK1IRAK4

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