SCHEMBL15949258

SCHEMBL15949258

O=C(c1cscn1)N1CCN(C2CN(C(=O)c3[nH]c4nc(C(F)(F)F)ccc4c3Br)C2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.53
POLB P06746 1/20 0.42
SCN9A Q15858 7/20 0.37
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
AXL P30530 1/20 0.34
FLT3 P36888 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
SCN10A Q9Y5Y9 2/20 0.33
NAMPT P43490 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 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
SCHEMBL15949427 0.83 MGLL (0.45) MGLL
SCHEMBL15949368 0.83 MGLL (0.45) MGLL
SCHEMBL910717 0.82 MGLL (0.53) MGLLPOLBSCN9ASCN10A
SCHEMBL15949360 0.82 CA12 (0.37) MGLLSCN9ATYRO3NAMPT
SCHEMBL912556 0.80 MGLL (0.52) MGLLPOLBSCN9ATLR9TLR8
SCHEMBL912297 0.80 MGLL (0.52) MGLLPOLBSCN9ATLR9TLR8
SCHEMBL14647910 0.77 MGLL (0.59) MGLLPOLBSCN9ATLR9TLR8
SCHEMBL911735 0.75 MGLL (0.53) MGLLPOLBSCN9ASCN10A
SCHEMBL911784 0.73 MGLL (0.59) MGLLPOLBSCN9ASCN10A
SCHEMBL911068 0.72 MGLL (0.59) MGLLPOLBSCN9ASCN10A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421823-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-01-14 EP disclosed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP disclosed
EP-2421825-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-01 EP disclosed