SCHEMBL17804385

SCHEMBL17804385

O=C1OC2(CCC(I)CC2)c2ccncc21

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 19/20 0.54
HSD11B1 P28845 1/20 0.47

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
SCHEMBL13710674 0.86 NPY5R (0.54) NPY5RHSD11B1
SCHEMBL6820752 0.86 NPY5R (0.56) NPY5RHSD11B1
SCHEMBL6820751 0.86 NPY5R (0.56) NPY5RHSD11B1
SCHEMBL6823336 0.82 NPY5R (0.51) NPY5RHSD11B1
SCHEMBL6820800 0.82 NPY5R (0.65) NPY5R
SCHEMBL480829 0.82 NPY5R (0.65) NPY5R
SCHEMBL6823333 0.82 NPY5R (0.51) NPY5RHSD11B1
SCHEMBL6820764 0.81 NPY5R (0.48) NPY5RHSD11B1
SCHEMBL15710521 0.81 NPY5R (0.48) NPY5RHSD11B1
SCHEMBL6816767 0.77 NPY5R (0.46) NPY5RHSD11B1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2697198-B1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2016-06-08 EP disclosed