SCHEMBL15949482

SCHEMBL15949482

O=C(c1ccc2c(c1)ncn2C1CCC(F)(F)CC1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 14/20 0.68
FAAH O00519 1/20 0.57
HPGD P15428 4/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL15949358 0.85 MGLL (0.58) MGLLFAAHGAAMEN1ALDH1A1
SCHEMBL15949465 0.83 MGLL (0.68) MGLLFAAHHPGDGAAMEN1
SCHEMBL699684 0.82 MGLL (0.54) MGLLFAAH
SCHEMBL912301 0.81 MGLL (0.69) MGLLFAAHHPGD
SCHEMBL695655 0.81 MGLL (1.00) MGLLFAAHHPGDALDH1A1
SCHEMBL912122 0.80 MGLL (0.84) MGLLFAAHHPGDALDH1A1
SCHEMBL912499 0.79 MGLL (0.67) MGLLFAAHHPGD
SCHEMBL15949424 0.79 MGLL (0.85) MGLLFAAHHPGD
SCHEMBL15949445 0.79 MGLL (0.85) MGLLFAAHHPGDALDH1A1
SCHEMBL3773966 0.78 MGLL (0.51) MGLLFAAH

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