SCHEMBL15949360

SCHEMBL15949360

O=C(c1ccc[nH]1)N1CCN(C2CN(C(=O)c3[nH]c4nc(C(F)(F)F)ccc4c3Br)C2)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
HRH4 Q9H3N8 4/20 0.36
PARP1 P09874 1/20 0.35
MGLL Q99685 3/20 0.34
SLC9A1 P19634 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
SCN9A Q15858 1/20 0.34
TYRO3 Q06418 1/20 0.34
HPGDS O60760 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
NAMPT P43490 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL910973 0.83 HRH4 (0.45) CA12CA1CA2CA7CA9
SCHEMBL15949427 0.82 MGLL (0.45) MGLL
SCHEMBL15949368 0.82 MGLL (0.45) MGLL
SCHEMBL15949258 0.82 MGLL (0.53) MGLLSCN9ATYRO3NAMPT
SCHEMBL911150 0.75 SCN9A (0.40) CA12CA1CA2CA7CA9
SCHEMBL14647916 0.68 MGLL (0.62) MGLL
SCHEMBL911672 0.67 MGLL (0.43) HRH4MGLLSLC9A1CYP3A4CYP2C19
SCHEMBL911819 0.67 MGLL (0.49) HRH4MGLLHRH3
SCHEMBL910717 0.67 MGLL (0.53) HRH4MGLLSCN9AHRH3
SCHEMBL14647897 0.67 MGLL (0.55) HRH4MGLLSLC9A1CYP3A4CYP2C19

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