SCHEMBL15949447

SCHEMBL15949447

O=C(c1ccc(Oc2cccc(C(F)(F)F)c2)nc1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.53
KCNH2 Q12809 3/20 0.53
MGLL Q99685 8/20 0.51
FAAH O00519 1/20 0.51
SCN9A Q15858 2/20 0.46
SCN10A Q9Y5Y9 1/20 0.46

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
SCHEMBL15949352 0.90 MGLL (0.57) MGLLFAAH
SCHEMBL912544 0.88 HRH3 (0.67) HRH3KCNH2MGLLFAAH
SCHEMBL15949220 0.88 HRH3 (0.59) HRH3KCNH2MGLLFAAHSCN9A
SCHEMBL913083 0.87 MGLL (0.53) HRH3KCNH2MGLLFAAHSCN9A
SCHEMBL15949309 0.84 MGLL (0.54) HRH3KCNH2MGLLSCN9ASCN10A
SCHEMBL913278 0.84 MGLL (0.53) HRH3KCNH2MGLLFAAHSCN9A
SCHEMBL912124 0.82 SLC6A7 (0.59) MGLLFAAH
SCHEMBL911859 0.81 MGLL (0.58) MGLLFAAH
SCHEMBL694239 0.80 MGLL (0.53) MGLLFAAH
SCHEMBL15949204 0.80 MGLL (0.53) 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