SCHEMBL1729151

SCHEMBL1729151

NC(CN(CC=O)C(=O)O)N1CCN(c2ccc(-c3ccc(Cl)cc3)cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.42
ME2 P23368 2/20 0.39
ME1 P48163 2/20 0.39
ME3 Q16798 2/20 0.39
EGLN1 Q9GZT9 1/20 0.39
CNR2 P34972 2/20 0.38
AKT1 P31749 1/20 0.37
DGAT1 O75907 2/20 0.37
KCNH2 Q12809 2/20 0.37
AOC3 Q16853 1/20 0.37
ADORA2A P29274 1/20 0.36
DRD4 P21917 2/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
DRD3 P35462 1/20 0.36
RAB9A P51151 1/20 0.35
ADK P55263 1/20 0.35
DRD2 P14416 2/20 0.35
PANK3 Q9H999 1/20 0.34

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
SCHEMBL1727881 0.90 CNR2 (0.48) MGLLEGLN1CNR2DGAT1KCNH2
SCHEMBL1727900 0.88 EGLN1 (0.41) ME2ME1ME3EGLN1AOC3
SCHEMBL1729282 0.88 PANK3 (0.40) EGLN1DGAT1KCNH2AOC3PANK3
SCHEMBL1729020 0.86 SCN10A (0.38) MGLLDRD4HTR1AHTR2ASLC6A4
SCHEMBL1728999 0.86 MGLL (0.41) MGLLME2ME1ME3EGLN1
SCHEMBL1729059 0.85 DGAT1 (0.41) MGLLEGLN1CNR2DGAT1KCNH2
SCHEMBL1728983 0.83 CNR1 (0.40) CNR2DRD4HTR1AHTR2ADRD3
SCHEMBL1730240 0.82 SLC6A7 (0.41) MGLLEGLN1DGAT1KCNH2AOC3
SCHEMBL1728823 0.81 SLC6A7 (0.44) MGLLDGAT1AOC3
SCHEMBL1727558 0.79 KCNH2 (0.40) MGLLEGLN1CNR2DGAT1KCNH2

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
EP-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP claimed