SCHEMBL21807952

SCHEMBL21807952

C[C@H]1C[C@@H](Oc2cc(Cl)c(F)cn2)CN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.37
HCRTR1 O43613 17/20 0.35
HCRTR2 O43614 17/20 0.35
OXTR P30559 2/20 0.34
AVPR1A P37288 1/20 0.33

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
SCHEMBL21807912 0.89 OGA (0.38) OGAHCRTR1HCRTR2
SCHEMBL31051511 0.86 PIK3CD (0.42) OGA
SCHEMBL21807918 0.82 HCRTR1 (0.34) OGAHCRTR1HCRTR2
SCHEMBL21807906 0.79 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL22323300 0.76 HCRTR1 (0.34) OGAHCRTR1HCRTR2
SCHEMBL21807899 0.76 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL21802756 0.75 OGA (0.53) OGAHCRTR1HCRTR2
SCHEMBL31051535 0.75 PIK3CD (0.43) OGA
SCHEMBL21807893 0.75 DGAT1 (0.42) HCRTR1HCRTR2
SCHEMBL21807960 0.71 HCRTR1 (0.34) HCRTR1HCRTR2

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