SCHEMBL28834053

SCHEMBL28834053

CC(=O)Nc1ccc(NC2CCN(C(=O)OC(C)(C)C)C2)c2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 6/20 0.49
EPHX2 P34913 1/20 0.45
BTK Q06187 1/20 0.44
CNR1 P21554 2/20 0.44
PARP1 P09874 1/20 0.43
CCR8 P51685 1/20 0.43
BRD4 O60885 1/20 0.43
PIM1 P11309 2/20 0.43
PIM2 Q9P1W9 2/20 0.43
PIK3CD O00329 2/20 0.43
GPR119 Q8TDV5 1/20 0.43

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
SCHEMBL29862411 1.00 USP30 (0.49) USP30EPHX2BTKCNR1PARP1
SCHEMBL28834051 1.00 USP30 (0.49) USP30EPHX2BTKCNR1PARP1
SCHEMBL23359802 0.94 ALDH1A1 (0.47) USP30EPHX2CNR1CCR8GPR119
SCHEMBL28834071 0.89 USP30 (0.51) USP30EPHX2BTKCNR1PARP1
SCHEMBL28834072 0.89 USP30 (0.51) USP30EPHX2BTKCNR1PARP1
SCHEMBL29862707 0.89 USP30 (0.51) USP30EPHX2BTKCNR1PARP1
SCHEMBL28834225 0.89 USP30 (0.51) USP30EPHX2BTKCNR1PARP1
SCHEMBL29862617 0.89 USP30 (0.51) USP30EPHX2BTKCNR1PARP1
SCHEMBL28834030 0.88 USP30 (0.50) USP30EPHX2BTKCNR1PARP1
SCHEMBL28834031 0.88 USP30 (0.50) USP30EPHX2BTKCNR1PARP1

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