SCHEMBL15949366

SCHEMBL15949366

O=C(c1ccc(-c2ccc(C(F)(F)F)s2)cc1)N1CC(N2CCN(C(=O)c3ccc[nH]3)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
MGLL Q99685 3/20 0.42
L3MBTL3 Q96JM7 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
SLC9A1 P19634 2/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC6A7 Q99884 2/20 0.39
GHSR Q92847 2/20 0.38
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 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
SCHEMBL912812 1.00 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL911330 0.88 MGLL (0.52) MGLLL3MBTL3L3MBTL1SLC6A7ACACB
SCHEMBL14877328 0.86 SLC9A1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL911258 0.83 SLC6A7 (0.55) CA12CA1CA2CA7CA9
SCHEMBL910648 0.83 SLC6A7 (0.55) CA12CA1CA2CA7CA9
SCHEMBL911413 0.81 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL911837 0.81 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL913138 0.80 MGLL (0.54) MGLLSLC6A7
SCHEMBL15949372 0.80 HSP90AA1 (0.46) MGLLL3MBTL3L3MBTL1SLC6A7GHSR
SCHEMBL14647954 0.80 MGLL (0.54) MGLLSLC6A7

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