SCHEMBL15949352

SCHEMBL15949352

O=C(c1ccc(Oc2cccc(C(F)(F)F)c2)cc1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 15/20 0.57
FAAH O00519 1/20 0.53
RBP4 P02753 1/20 0.43
SLC6A7 Q99884 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ABL1 P00519 1/20 0.42
BCR P11274 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
SCHEMBL15949447 0.90 HRH3 (0.53) MGLLFAAH
SCHEMBL913278 0.88 MGLL (0.53) MGLLFAAHCYP3A4GAAMAPT
SCHEMBL699889 0.87 MGLL (0.60) MGLLFAAH
SCHEMBL912124 0.87 SLC6A7 (0.59) MGLLFAAHSLC6A7ABL1BCR
SCHEMBL693170 0.86 MGLL (0.57) MGLLCYP3A4GAAMAPTCYP2C9
SCHEMBL15949204 0.85 MGLL (0.53) MGLLFAAHRBP4SLC6A7ABL1
SCHEMBL694239 0.85 MGLL (0.53) MGLLFAAHRBP4SLC6A7ABL1
SCHEMBL912154 0.84 MGLL (0.51) MGLLFAAHCYP3A4GAAMAPT
SCHEMBL912096 0.84 L3MBTL1 (0.60) MGLLFAAHGAAMAPTHTT
SCHEMBL911859 0.84 MGLL (0.58) MGLLFAAHSLC6A7ABL1BCR

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