SCHEMBL15949461

SCHEMBL15949461

O=C(c1ccc2c(c1)CCCN2Cc1ccc(C(F)(F)F)cc1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 10/20 0.50
FAAH O00519 1/20 0.50
HDAC1 Q13547 8/20 0.41
HDAC6 Q9UBN7 8/20 0.41
HDAC8 Q9BY41 7/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
CYP2C19 P33261 1/20 0.41
HDAC10 Q969S8 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL913187 0.95 MGLL (0.51) MGLLFAAHTP53
SCHEMBL699547 0.90 MGLL (0.55) MGLLFAAHHDAC1HDAC6HDAC8
SCHEMBL3768422 0.88 MGLL (0.53) MGLLFAAHHDAC1HDAC6TP53
SCHEMBL912222 0.87 MGLL (0.49) MGLLFAAH
SCHEMBL3783426 0.87 MGLL (0.56) MGLLFAAH
SCHEMBL15949245 0.86 MGLL (0.49) MGLLFAAHTP53
SCHEMBL698951 0.85 MGLL (0.57) MGLLFAAH
SCHEMBL15949420 0.84 MGLL (0.51) MGLLFAAHCYP2C19
SCHEMBL699201 0.83 MGLL (0.51) MGLLFAAH
SCHEMBL912506 0.82 MGLL (0.56) 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