SCHEMBL30491261

SCHEMBL30491261

[2H]C1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
USP2 O75604 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PREP P48147 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
EPHX1 P07099 1/20 0.44
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CTSK P43235 1/20 0.41
RECQL P46063 1/20 0.41
NR1H2 P55055 1/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
EPHX2 P34913 1/20 0.39

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
SCHEMBL5053 0.86 HPGD (0.68) HPGDUSP2SMN1; SMN2PREPMEN1
SCHEMBL7858182 0.86 HPGD (0.68) HPGDUSP2SMN1; SMN2PREPMEN1
SCHEMBL60470 0.84 HPGD (0.71) HPGDUSP2SMN1; SMN2PREPMEN1
SCHEMBL2077166 0.84 HPGD (0.71) HPGDUSP2SMN1; SMN2PREPMEN1
SCHEMBL29724140 0.84 HPGD (0.66) HPGDUSP2SMN1; SMN2PREPMEN1
SCHEMBL18097955 0.84 HPGD (0.71) HPGDUSP2SMN1; SMN2PREPMEN1
SCHEMBL18432213 0.84 HPGD (0.71) HPGDUSP2SMN1; SMN2PREPMEN1
SCHEMBL19852529 0.84 HPGD (0.71) HPGDUSP2SMN1; SMN2PREPMEN1
SCHEMBL21707988 0.84 HPGD (0.71) HPGDUSP2SMN1; SMN2PREPMEN1
SCHEMBL19864899 0.84 HPGD (0.71) HPGDUSP2SMN1; SMN2PREPMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed