SCHEMBL4593246

SCHEMBL4593246

CCOc1cc(CN(c2nc3cc(OCCCC(=O)OC)ccc3o2)C2CCNCC2)ccc1OC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 11/20 0.41
REN P00797 3/20 0.41
HDAC6 Q9UBN7 1/20 0.40
HRH1 P35367 4/20 0.39
PPARG P37231 2/20 0.39
SSTR1 P30872 1/20 0.39
KCNH2 Q12809 2/20 0.38
HTR2B P41595 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
DHFR P00374 1/20 0.36
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL4593310 0.94 REN (0.41) SSTR5RENHDAC6HRH1PPARG
SCHEMBL4594185 0.93 SSTR5 (0.42) SSTR5RENHDAC6HRH1SSTR1
SCHEMBL4593573 0.91 SSTR5 (0.39) SSTR5PPARGKCNH2PDE3BPDE3A
SCHEMBL4594763 0.89 SSTR5 (0.41) SSTR5RENHDAC6HRH1SSTR1
SCHEMBL4594411 0.86 REN (0.43) SSTR5RENHDAC6HRH1KCNH2
SCHEMBL5485903 0.85 HDAC6 (0.46) SSTR5RENHDAC6HRH1SSTR1
SCHEMBL5484863 0.84 SSTR5 (0.57) SSTR5RENHDAC6HRH1SSTR1
SCHEMBL4594609 0.84 SSTR5 (0.38) SSTR5PPARGKCNH2PDE3BPDE3A
SCHEMBL4594382 0.83 SSTR5 (0.40) SSTR5SSTR1KCNH2HPGD
SCHEMBL4594457 0.82 SSTR5 (0.39) SSTR5RENHDAC6HRH1SSTR1

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