SCHEMBL28834100

SCHEMBL28834100

CCOc1ccc(N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c2cccnc12

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.51
USP30 Q70CQ3 6/20 0.48
BTK Q06187 1/20 0.45
BRD4 O60885 2/20 0.44
PIK3CD O00329 1/20 0.44
CNR1 P21554 2/20 0.43
PIK3CA P42336 1/20 0.42
NOS2 P35228 1/20 0.42
PARP1 P09874 1/20 0.42
ADORA1 P30542 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
SCHEMBL28834101 1.00 EPHX2 (0.51) EPHX2USP30BTKBRD4PIK3CD
SCHEMBL29862672 1.00 EPHX2 (0.51) EPHX2USP30BTKBRD4PIK3CD
SCHEMBL23359653 0.94 EPHX2 (0.54) EPHX2USP30NOS2
SCHEMBL28834155 0.91 USP30 (0.49) EPHX2USP30BTKPIK3CDCNR1
SCHEMBL29862661 0.91 USP30 (0.49) EPHX2USP30BTKPIK3CDCNR1
SCHEMBL28834238 0.91 USP30 (0.49) EPHX2USP30BTKPIK3CDCNR1
SCHEMBL28834157 0.91 USP30 (0.49) EPHX2USP30BTKPIK3CDCNR1
SCHEMBL29863210 0.91 USP30 (0.49) EPHX2USP30BTKPIK3CDCNR1
SCHEMBL28834242 0.90 BRD4 (0.49) EPHX2USP30BTKBRD4PIK3CD
SCHEMBL28834244 0.90 BRD4 (0.49) EPHX2USP30BTKBRD4PIK3CD

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