SCHEMBL21807893

SCHEMBL21807893

C[C@H]1C[C@@H](Oc2ccc(Br)cn2)CN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.42
HCRTR1 O43613 15/20 0.40
HCRTR2 O43614 15/20 0.40
GPR183 P32249 1/20 0.36
POLB P06746 1/20 0.36
ACACB O00763 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
SCHEMBL31051495 0.85 DGAT1 (0.53) DGAT1HCRTR1HCRTR2
SCHEMBL31128747 0.85 DGAT1 (0.53) DGAT1HCRTR1HCRTR2
SCHEMBL22323300 0.84 HCRTR1 (0.34) HCRTR1HCRTR2GPR183
SCHEMBL21807918 0.80 HCRTR1 (0.34) HCRTR1HCRTR2
SCHEMBL22323316 0.79 ACACB (0.32) HCRTR1HCRTR2ACACB
SCHEMBL21807890 0.78 HSD11B1 (0.41) HCRTR1HCRTR2POLBACACB
SCHEMBL21807912 0.78 OGA (0.38) DGAT1HCRTR1HCRTR2
SCHEMBL8511076 0.75 DGAT1 (0.45) DGAT1HCRTR1HCRTR2
SCHEMBL21807952 0.75 OGA (0.37) HCRTR1HCRTR2
SCHEMBL14967815 0.74 DGAT1 (0.46) DGAT1HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3853226-A1 O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS Biogen MA Inc. (US) 2021-07-28 EP disclosed
WO-2020061150-A1 O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. (US) 2020-03-26 WO disclosed