SCHEMBL14648024

SCHEMBL14648024

O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CC(N2CCN(C(=O)c3cscn3)CC2)C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
MAPT P10636 4/20 0.52
POLB P06746 2/20 0.52
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MGLL Q99685 6/20 0.52
KDM4E B2RXH2 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
PARP1 P09874 4/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42

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
SCHEMBL911002 0.84 MAPT (0.60) LMNAMAPTPOLBALDH1A1L3MBTL1
SCHEMBL912106 0.83 LMNA (0.52) LMNAMAPTPOLBALDH1A1L3MBTL1
SCHEMBL912139 0.76 MGLL (0.55) POLBMGLLPARP1
SCHEMBL911090 0.76 MGLL (0.55) POLBMGLLPARP1
SCHEMBL911729 0.75 MGLL (0.66) POLBMGLLPARP1ACACBACACA
SCHEMBL6840249 0.75 MGLL (0.57) POLBL3MBTL1MGLL
SCHEMBL14876946 0.75 MGLL (0.57) LMNAPOLBALDH1A1L3MBTL1MGLL
SCHEMBL911978 0.74 MGLL (0.61) POLBMGLLKDM4ECNR1CNR2
SCHEMBL911746 0.74 MGLL (0.51) POLBALDH1A1L3MBTL1MGLLTDP1
SCHEMBL911577 0.74 MGLL (0.69) LMNAPOLBALDH1A1L3MBTL1MGLL

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 4 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
US-8362000-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US disclosed