SCHEMBL25329352

SCHEMBL25329352

CC(C)(C)OC(=O)NCCCCCCCN1CC(N)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MAN2B1 O00754 1/20 0.44
DRD2 P14416 7/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 5/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA9 Q16790 5/20 0.39
ACE P12821 1/20 0.38
CACNA1G O43497 1/20 0.38

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
SCHEMBL25328809 0.82 KMT2A (0.38) MEN1KMT2A
SCHEMBL25329353 0.80 L3MBTL1 (0.32) KMT2A
SCHEMBL8294047 0.79 TDP1 (0.48) TDP1MAOAMAOBMAN2B1DRD2
SCHEMBL25361923 0.79 DRD2 (0.50) TDP1MAOAMAOBMAN2B1DRD2
SCHEMBL23034881 0.78 TDP1 (0.49) TDP1MAOAMAOBDRD2KMT2A
SCHEMBL25362872 0.77 DRD2 (0.48) TDP1MAOAMAOBMAN2B1DRD2
SCHEMBL14295885 0.74 KMT2A (0.54) MEN1KMT2A
SCHEMBL25030631 0.74 TDP1 (0.50) TDP1MAOAMAOBMAN2B1DRD2
SCHEMBL25022225 0.74 L3MBTL1 (0.44) DRD2KMT2ACA1CA2
SCHEMBL28969100 0.74 L3MBTL1 (0.44) DRD2KMT2ACA1CA2

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
WO-2023143482-A1 2-AMINOPYRIMIDINE COMPOUND OR SALT, PREPARATION METHOD THEREFOR AND USE THEREOF 上海辉启生物医药科技有限公司 2023-08-03 WO disclosed