SCHEMBL22079700

SCHEMBL22079700

C[C@H]1CN(C(=O)OC(C)(C)C)CC(CBr)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.46
▸ USP2 O75604 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ NAMPT P43490 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ GPR119 Q8TDV5 2/20 0.35
▸ EPHX1 P07099 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RORC P51449 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
SCHEMBL30554123 1.00 NR1H2 (0.46) NR1H2USP2SMN1; SMN2USP30RECQL
SCHEMBL29239209 0.87 NR1H2 (0.54) NR1H2USP2SMN1; SMN2RECQLNAMPT
SCHEMBL22078745 0.87 NR1H2 (0.54) NR1H2USP2SMN1; SMN2RECQLNAMPT
SCHEMBL29017228 0.87 NR1H2 (0.54) NR1H2USP2SMN1; SMN2RECQLNAMPT
SCHEMBL16633471 0.87 NR1H2 (0.54) NR1H2USP2SMN1; SMN2RECQLNAMPT
SCHEMBL24404847 0.87 NR1H2 (0.47) NR1H2USP2SMN1; SMN2RECQLNAMPT
SCHEMBL21193259 0.87 NR1H2 (0.54) NR1H2USP2SMN1; SMN2RECQLNAMPT
SCHEMBL16633062 0.87 NR1H2 (0.54) NR1H2USP2SMN1; SMN2RECQLNAMPT
SCHEMBL16633063 0.87 NR1H2 (0.54) NR1H2USP2SMN1; SMN2RECQLNAMPT
SCHEMBL29017236 0.87 NR1H2 (0.54) NR1H2USP2SMN1; SMN2RECQLNAMPT

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-4327814-A2 MORPHOLINYL, PIPERAZINYL, OXAZEPANYL AND DIAZEPANYL O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS Biogen MA Inc. (US) 2024-02-28 — — EP disclosed
WO-2020117961-A1 MORPHOLINYL, PIPERAZINYL, OXAZEPANYL AND DIAZEPANYL O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. (US) 2020-06-11 — — WO disclosed
Send feedback