SCHEMBL28834244

SCHEMBL28834244

CC(C)(C)OC(=O)N1CCC(Nc2ccc(OCc3ccccc3)c3ncccc23)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.49
USP30 Q70CQ3 5/20 0.49
EPHX2 P34913 1/20 0.48
PRMT5 O14744 1/20 0.46
BTK Q06187 1/20 0.46
CCR8 P51685 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
PIK3CD O00329 1/20 0.43
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NTSR1 P30989 1/20 0.42
PIK3CA P42336 1/20 0.42
TACR1 P25103 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL28834242 1.00 BRD4 (0.49) BRD4USP30EPHX2PRMT5BTK
SCHEMBL29862551 1.00 BRD4 (0.49) BRD4USP30EPHX2PRMT5BTK
SCHEMBL23360351 0.95 PRMT5 (0.51) BRD4USP30EPHX2PRMT5CCR8
SCHEMBL28834101 0.90 EPHX2 (0.51) BRD4USP30EPHX2BTKPIK3CD
SCHEMBL28834100 0.90 EPHX2 (0.51) BRD4USP30EPHX2BTKPIK3CD
SCHEMBL29862672 0.90 EPHX2 (0.51) BRD4USP30EPHX2BTKPIK3CD
SCHEMBL23360578 0.89 SLC40A1 (0.45) EPHX2PRMT5CCR8MEN1ALDH1A1
SCHEMBL23360576 0.89 SLC40A1 (0.45) EPHX2PRMT5CCR8MEN1ALDH1A1
SCHEMBL29862661 0.88 USP30 (0.49) USP30EPHX2BTKPIK3CDMAPK1
SCHEMBL28834155 0.88 USP30 (0.49) USP30EPHX2BTKPIK3CDMAPK1

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
CN-114867719-B Pyrrolidine and piperidine compounds 柳韩洋行 2024-06-25 CN disclosed
CN-114867719-A Pyrrolidine and piperidine compounds 柳韩洋行 2022-08-05 CN disclosed