SCHEMBL15949372

SCHEMBL15949372

O=C(c1ccc(-c2ccc(C(F)(F)F)s2)cc1)N1CC(N2CCN(C(=O)c3cncs3)CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
MGLL Q99685 4/20 0.40
GHSR Q92847 1/20 0.39
SLC6A7 Q99884 4/20 0.39
L3MBTL3 Q96JM7 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ABL1 P00519 2/20 0.36
BCR P11274 2/20 0.36

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
SCHEMBL911330 0.85 MGLL (0.52) ALDH1A1POLBMGLLSLC6A7L3MBTL3
SCHEMBL911498 0.83 ALDH1A1 (0.60) HSP90AA1ALDH1A1MAPTPKMPOLB
SCHEMBL911934 0.82 MGLL (0.54) POLBMGLLSLC6A7L3MBTL3L3MBTL1
SCHEMBL14647954 0.82 MGLL (0.54) MGLLSLC6A7
SCHEMBL15949392 0.82 MGLL (0.54) POLBMGLLSLC6A7L3MBTL3L3MBTL1
SCHEMBL913138 0.82 MGLL (0.54) MGLLSLC6A7
SCHEMBL912812 0.80 CA12 (0.44) MGLLGHSRSLC6A7L3MBTL3L3MBTL1
SCHEMBL15949366 0.80 CA12 (0.44) MGLLGHSRSLC6A7L3MBTL3L3MBTL1
SCHEMBL693717 0.76 MGLL (0.56) ALDH1A1POLBMGLLSLC6A7
SCHEMBL693446 0.73 KDM4E (0.50) ALDH1A1POLBMGLLL3MBTL3L3MBTL1

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