SCHEMBL7877280

SCHEMBL7877280

Bc1ccc2c(c1)CCC(C(=O)N1CC(C)C1)N2C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
KMT2A Q03164 2/20 0.37
PDK1 Q15118 8/20 0.36
PDK2 Q15119 8/20 0.36
PDK3 Q15120 8/20 0.36
PDK4 Q16654 8/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
HSP90AA1 P07900 2/20 0.35
TP53 P04637 1/20 0.35
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
NOTUM Q6P988 1/20 0.35
MAPK1 P28482 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
SCHEMBL7879884 0.80 TP53 (0.33) NPC1KMT2APDK1PDK2PDK3
SCHEMBL7868845 0.79 KMT2A (0.41) NPC1KMT2APDK1PDK2PDK3
SCHEMBL6840317 0.71 FAAH (0.40) KMT2APDK1PDK2PDK3PDK4
SCHEMBL697100 0.70 PDK1 (0.39) NPC1KMT2APDK1PDK2PDK3
SCHEMBL697653 0.67 FAAH (0.37) KMT2APDK1PDK2PDK3PDK4
SCHEMBL911935 0.67 PDK1 (0.49) NPC1PDK1PDK2PDK3PDK4
SCHEMBL711577 0.67 FAAH (0.42) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL15958952 0.66 PDK1 (0.48) NPC1PDK1PDK2PDK3PDK4
SCHEMBL16590074 0.65 NOTUM (0.59) NPC1KMT2APDK1PDK2PDK3
SCHEMBL26079007 0.65 NOTUM (0.59) NPC1KMT2APDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010124082-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124086-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124114-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124116-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed