SCHEMBL28704129

SCHEMBL28704129

CCOC(=O)CC1CN(C(=O)OC(C)(C)C)C1CC(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
NR1H2 P55055 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL9698922 0.77 MEN1 (0.36) SRCMEN1KMT2A
SCHEMBL28668858 0.76 MEN1 (0.34) SRCMEN1KMT2A
SCHEMBL29496240 0.75 MEN1 (0.40) SRCMEN1KMT2A
SCHEMBL1661739 0.75 NR1H2 (0.51) L3MBTL1NR1H2MEN1KMT2A
SCHEMBL29770673 0.74 NR1H2 (0.46) NR1H2MEN1KMT2A
SCHEMBL18044508 0.74 HPGD (0.41) NR1H2MEN1KMT2A
SCHEMBL17686381 0.74 SRC (0.41) SRCL3MBTL1NR1H2MEN1KMT2A
SCHEMBL21722174 0.74 PARP1 (0.39) SRCNR1H2MEN1KMT2A
SCHEMBL1900990 0.73 GABRA1 (0.46) L3MBTL1MEN1KMT2A
SCHEMBL10724223 0.73 GABRA1 (0.46) L3MBTL1MEN1KMT2A

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
CN-109641898-B 5, 7-dihydro-pyrrolo-pyridine derivatives for the treatment of neurological and neurodegenerative diseases 辉瑞公司 2022-04-08 CN disclosed