SCHEMBL21807906

SCHEMBL21807906

C[C@H]1C[C@@H](Oc2cc(F)ccn2)CN1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.53
HCRTR2 O43614 20/20 0.53

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
SCHEMBL31051539 0.85 HCRTR2 (0.49) HCRTR1HCRTR2
SCHEMBL21807912 0.81 OGA (0.38) HCRTR1HCRTR2
SCHEMBL21807909 0.80 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL21807952 0.79 OGA (0.37) HCRTR1HCRTR2
SCHEMBL21807899 0.78 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL16012260 0.76 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL16012006 0.75 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL16198556 0.74 HCRTR2 (0.67) HCRTR1HCRTR2
SCHEMBL21807893 0.74 DGAT1 (0.42) HCRTR1HCRTR2
SCHEMBL16012166 0.74 HCRTR1 (0.68) 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