SCHEMBL3720045

SCHEMBL3720045

CCOC(=O)NC1CCC12CCN(C(=O)O)CC2

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.35
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
TP53 P04637 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
NAMPT P43490 1/20 0.33
LMNA P02545 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
SCHEMBL3720049 0.84 HSD11B1 (0.36) HSD11B1L3MBTL1THRBATMKMT2A
SCHEMBL24660135 0.78 OPRM1 (0.38) HSD11B1NFKB1NFKB2RELAMAPT
SCHEMBL9993508 0.76 HSD11B1 (0.40) HSD11B1L3MBTL1THRBATMKMT2A
SCHEMBL15655049 0.75 OPRD1 (0.34) KMT2AMEN1ALDH1A1
SCHEMBL29068480 0.73 CTSK (0.39) HSD11B1L3MBTL1KMT2ANFKB1NFKB2
SCHEMBL23826944 0.72 LMNA (0.35) NAMPTLMNA
SCHEMBL27147272 0.71 HSD11B1 (0.61) HSD11B1L3MBTL1THRBATMKMT2A
SCHEMBL30807383 0.71 HSD11B1 (0.61) HSD11B1L3MBTL1THRBATMKMT2A
SCHEMBL2796930 0.71 MAPT (0.41) ALDH1A1POLBMAPTNAMPTLMNA
SCHEMBL18319504 0.70 ALDH1A1 (0.37) L3MBTL1GAAALDH1A1

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