SCHEMBL21807960

SCHEMBL21807960

COCCOc1cc(O[C@@H]2C[C@H](C)N(C(=O)O)C2)ncn1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 15/20 0.34
HCRTR2 O43614 15/20 0.34
ACACB O00763 2/20 0.34
FAAH O00519 1/20 0.33
PIK3CD O00329 1/20 0.32

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
SCHEMBL21807899 0.87 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL21807954 0.86 PIK3CD (0.45) PIK3CD
SCHEMBL31051490 0.86 PIK3CD (0.45) PIK3CD
SCHEMBL21807909 0.84 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL21807912 0.74 OGA (0.38) HCRTR1HCRTR2
SCHEMBL21807906 0.73 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL31051491 0.73 PIK3CD (0.46) HCRTR1HCRTR2PIK3CD
SCHEMBL31051476 0.73 PIK3CD (0.46) HCRTR1HCRTR2PIK3CD
SCHEMBL31128769 0.73 OGA (0.45)
SCHEMBL21807952 0.71 OGA (0.37) 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