SCHEMBL6016799

SCHEMBL6016799

CC(C)(C)OC(=O)N1CC2CCCCC2C1(C)C#N

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSK P43235 3/20 0.38
PREP P48147 3/20 0.36
EPHX1 P07099 1/20 0.35
NR1H2 P55055 1/20 0.34
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
HSD11B1 P28845 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
SCHEMBL6016798 1.00 MEN1 (0.39) MEN1ALDH1A1MAPTKMT2ACTSK
SCHEMBL6016853 0.82 EPHX1 (0.37) MEN1ALDH1A1MAPTKMT2APREP
SCHEMBL6016852 0.82 EPHX1 (0.37) MEN1ALDH1A1MAPTKMT2APREP
SCHEMBL6488112 0.80 EPHX1 (0.35) MEN1ALDH1A1MAPTKMT2APREP
SCHEMBL7564909 0.72 EPHX1 (0.36) MEN1ALDH1A1MAPTKMT2APREP
SCHEMBL501214 0.71 NR1H2 (0.35) MEN1ALDH1A1MAPTKMT2ACTSK
SCHEMBL29180653 0.68 NR1H2 (0.60) MEN1ALDH1A1MAPTKMT2APREP
SCHEMBL20031478 0.68 NR1H2 (0.60) MEN1ALDH1A1MAPTKMT2APREP
SCHEMBL16465881 0.67 DPP4 (0.47) MEN1ALDH1A1MAPTKMT2ACTSK
SCHEMBL28959377 0.67 NR1H2 (0.38) PREPEPHX1NR1H2HPGDCHRM2

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-1615886-A1 [C]-FUSED BICYCLIC PROLINE DERIVATIVES AND THEIR USE FOR TREATING ARTHRITIC CONDITIONS Warner-Lambert Company LLC (US) 2006-01-18 EP disclosed
WO-2004092134-A1 [C]-FUSED BICYCLIC PROLINE DERIVATIVES AND THEIR USE FOR TREATING ARTHRITIC CONDITIONS WARNER-LAMBERT COMPANY LLC (US) 2004-10-28 WO disclosed