SCHEMBL4593945

SCHEMBL4593945

CCOc1cc(CN(c2nc3cc(OCC(=O)O)ccc3o2)C2CCNCC2)cc(OCC)c1-n1cccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 4/20 0.41
HRH1 P35367 1/20 0.41
PPARA Q07869 1/20 0.38
TACR1 P25103 4/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SSTR1 P30872 1/20 0.33
ACSL1 P33121 1/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
KCNH2 Q12809 1/20 0.33
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FFAR1 O14842 1/20 0.32
GCG P01275 1/20 0.32
GCGR P47871 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
SCHEMBL4594029 0.93 SSTR5 (0.41) SSTR5HRH1TACR1TDP1SSTR1
SCHEMBL4594363 0.90 SSTR5 (0.41) SSTR5HRH1L3MBTL1SSTR1SLC6A2
SCHEMBL4594138 0.89 SSTR5 (0.44) SSTR5HRH1POLBTDP1L3MBTL1
SCHEMBL4594820 0.89 SSTR5 (0.39) SSTR5PPARATACR1POLBTDP1
SCHEMBL4638433 0.87 SSTR5 (0.38) SSTR5HRH1SSTR1ACSL1SLC6A2
SCHEMBL4594763 0.87 SSTR5 (0.41) SSTR5HRH1PPARASSTR1SLC6A2
SCHEMBL4593365 0.87 SSTR5 (0.36) SSTR5HRH1TACR1L3MBTL1SLC6A2
SCHEMBL5484220 0.87 SSTR5 (0.44) SSTR5HRH1SSTR1SLC6A2SLC6A4
SCHEMBL4594466 0.86 SSTR5 (0.38) SSTR5HRH1TACR1SSTR1ACSL1
SCHEMBL4593843 0.86 SSTR5 (0.43) SSTR5HRH1SSTR1KCNH2HDAC6

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