SCHEMBL7876064

SCHEMBL7876064

C=C=C(OC(C)(C)C)N1CCc2cc(C(=O)N3CC(N4CCN(C(=O)c5ccccc5)CC4)C3)ccc2C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.43
HDAC6 Q9UBN7 2/20 0.41
ESR2 Q92731 1/20 0.40
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE4B Q07343 1/20 0.39
NAMPT P43490 2/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL6840190 0.88 ESR2 (0.53) MGLLHDAC6ESR2HSP90AA1HSP90AB1
SCHEMBL14648079 0.82 MGLL (0.53) MGLLHDAC6HSP90AA1HSP90AB1NAMPT
SCHEMBL698251 0.81 MGLL (0.46) MGLLHDAC6HSP90AA1HSP90AB1MEN1
SCHEMBL912252 0.81 MGLL (0.46) MGLLHDAC6HSP90AA1HSP90AB1MEN1
SCHEMBL699653 0.77 ALDH1A1 (0.60) MGLLHDAC6KMT2ANAMPTKDM4E
SCHEMBL699912 0.76 MGLL (0.50) MGLLESR2
SCHEMBL3779972 0.76 MGLL (0.60) MGLLHDAC6
SCHEMBL4437349 0.75 KDM4E (0.60) HDAC6NAMPTKDM4EALDH1A1POLB
SCHEMBL4428076 0.75 KDM4E (0.64) HDAC6PDE4BNAMPTKDM4EALDH1A1
SCHEMBL4520156 0.75 ESR2 (0.57) ESR2MEN1KMT2ANAMPT

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