SCHEMBL4329644

SCHEMBL4329644

CN(C(=O)O)C1COC(C)(C)OC1CO

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 2/20 0.30
HCRTR1 O43613 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL4337433 0.84
SCHEMBL4344977 0.73
SCHEMBL15254632 0.73 HCRTR2 (0.33) HCRTR2HCRTR1TMEM97SIGMAR1
SCHEMBL10770158 0.69 CA2 (0.33)
SCHEMBL4329641 0.68 CA2 (0.35) HCRTR2HCRTR1TMEM97SIGMAR1
Acetic Acid SCHEMBL15955948 0.67 CA2 (0.46) HCRTR2HCRTR1TMEM97SIGMAR1
SCHEMBL10780493 0.66 CA2 (0.31)
SCHEMBL8701328 0.65 TBXA2R (0.34)
SCHEMBL8701326 0.65 TBXA2R (0.34)
SCHEMBL8701332 0.65 TBXA2R (0.34)

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-2049543-B1 ACYCLIC AMINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE CALLAGHAN INNOVATION RES LTD (NZ) 2014-11-05 EP disclosed
US-8383636-B2 Acyclic amine inhibitors of 5-methytioadenosine phosphorylase and nucleosidase INDUSTRIAL RESEARCH LIMITED (NZ) 2013-02-26 US disclosed
EP-2049543-A1 ACYCLIC AMINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE INDUSTRIAL RESEARCH LIMITED (NZ) 2009-04-22 EP disclosed
WO-2008030118-A1 ACYCLIC AMINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE INDUSTRIAL RESEARCH LIMITED (NZ) 2008-03-13 WO disclosed