SCHEMBL15949397

SCHEMBL15949397

CC(=O)N1c2ccc(Br)cc2CCC1C(=O)N1CC(N2CCN(C(=O)c3cscn3)CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.45
POLB P06746 1/20 0.41
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
PKM P14618 1/20 0.35
RIPK1 Q13546 1/20 0.34
FAAH O00519 1/20 0.34
NAMPT P43490 1/20 0.33
CCR5 P51681 1/20 0.33
KMT2A Q03164 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
DPP4 P27487 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 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
SCHEMBL6840317 0.85 FAAH (0.40) PDK1PDK2PDK3PDK4FAAH
SCHEMBL699570 0.84 MGLL (0.42) MGLLFAAH
SCHEMBL711577 0.83 FAAH (0.42) MGLLPOLBPDK1PDK2PDK3
SCHEMBL697653 0.80 FAAH (0.37) PDK1PDK2PDK3PDK4FAAH
SCHEMBL697100 0.80 PDK1 (0.39) PDK1PDK2PDK3PDK4FAAH
SCHEMBL15240920 0.74 MGLL (0.51) MGLLPOLBPKMNAMPTKMT2A
SCHEMBL911482 0.72 MGLL (0.56) MGLLPOLBPKMNAMPTKMT2A
SCHEMBL911458 0.72 MGLL (0.54) MGLLPOLBPKMKMT2AHRH3
SCHEMBL725445 0.72 MGLL (0.51) MGLLFAAH
SCHEMBL911053 0.71 MGLL (0.58) MGLLPOLBKMT2A

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