SCHEMBL28533501

SCHEMBL28533501

NC(=O)OC1CN(C2CCOCC2)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
OPRM1 P35372 1/20 0.38
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
HRH3 Q9Y5N1 11/20 0.35
ALDH1A1 P00352 2/20 0.34
PKM P14618 1/20 0.34
AOC3 Q16853 1/20 0.33
PARP1 P09874 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KDM2B Q8NHM5 1/20 0.32

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
SCHEMBL28390615 0.84 HRH3 (0.40) ATMHRH3AOC3PARP1L3MBTL3
SCHEMBL21873698 0.81 ATM (0.47) ATMOPRM1DPP4DPP8DPP9
SCHEMBL4975174 0.78 ATM (0.41) ATML3MBTL1KDM4E
SCHEMBL28649982 0.74 DPP4 (0.44) ATMDPP4DPP8DPP9DPP7
SCHEMBL28370719 0.71 ATM (0.41) ATMDPP4DPP8DPP9DPP7
SCHEMBL28946887 0.71 DPP4 (0.53) ATMDPP4DPP8DPP9DPP7
SCHEMBL28366249 0.71 ATM (0.41) ATMDPP4DPP8DPP9DPP7
SCHEMBL28663265 0.71 DPP4 (0.53) ATMDPP4DPP8DPP9DPP7
SCHEMBL28851434 0.71 L3MBTL1 (0.39) ATMDPP4HRH3ALDH1A1AOC3
SCHEMBL28851429 0.71 L3MBTL1 (0.39) ATMDPP4HRH3ALDH1A1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117683029-A Bcl-2 inhibitors 百济神州有限公司 2024-03-12 CN disclosed
CN-117430601-A Bcl-2 inhibitors 百济神州有限公司 2024-01-23 CN disclosed
CN-112437772-B Bcl-2 inhibitors 百济神州有限公司 2023-11-21 CN disclosed
CN-112437772-A Bcl-2 inhibitors 百济神州有限公司 2021-03-02 CN disclosed