SCHEMBL3720049

SCHEMBL3720049

CCOC(=O)NC1CN(C(=O)O)CCC12CCC2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 4/20 0.33
HTT P42858 2/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
NAMPT P43490 1/20 0.32
KDM4E B2RXH2 2/20 0.32
CHRM1 P11229 1/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3720045 0.84 HSD11B1 (0.37) HSD11B1L3MBTL1LMNATHRBATM
SCHEMBL18838440 0.76 CTSK (0.43) HSD11B1NFKB1NFKB2RELA
SCHEMBL27147272 0.72 HSD11B1 (0.61) HSD11B1L3MBTL1THRBATMALDH1A1
SCHEMBL30807383 0.72 HSD11B1 (0.61) HSD11B1L3MBTL1THRBATMALDH1A1
SCHEMBL9993508 0.71 HSD11B1 (0.40) HSD11B1L3MBTL1LMNATHRBATM
SCHEMBL12492955 0.69 CTSK (0.39) HSD11B1L3MBTL1NFKB1NFKB2RELA
SCHEMBL18319504 0.69 ALDH1A1 (0.37) L3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL16914482 0.68
SCHEMBL2796930 0.66 MAPT (0.41) LMNAALDH1A1NAMPTPOLB
SCHEMBL16914298 0.66 NAMPT (0.30) NAMPT

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
EP-2393809-A2 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-14 EP disclosed
WO-2010089510-A2 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-12 WO disclosed