SCHEMBL15949403

SCHEMBL15949403

O=C(c1ccccc1)N1CCN(C2CN(C(=O)c3ccc(Oc4ccccn4)c(Cl)c3)C2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.54
MGLL Q99685 6/20 0.49
HTR1A P08908 2/20 0.45
ADRA1A P35348 2/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.43
TACR3 P29371 1/20 0.43

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
SCHEMBL912315 0.89 MGLL (0.55) HRH3MGLL
SCHEMBL15949393 0.89 MGLL (0.52) HRH3MGLLALDH1A1MEN1KMT2A
SCHEMBL14647938 0.85 ALDH1A1 (0.51) MGLLALDH1A1LMNAMAPTTSHR
SCHEMBL912159 0.85 HRH3 (0.57) HRH3MGLLALDH1A1MAPTHTT
SCHEMBL15949467 0.83 ALDH1A1 (0.58) MGLLALDH1A1LMNATSHRMEN1
SCHEMBL911777 0.82 HRH3 (0.78) HRH3MGLL
SCHEMBL14648127 0.81 HPGD (0.52) MGLLALDH1A1LMNAMAPTTSHR
SCHEMBL14648130 0.79 MGLL (0.53) MGLLALDH1A1LMNAMAPTTSHR
SCHEMBL14648011 0.78 HPGD (0.52) HRH3MGLLALDH1A1LMNAMAPT
SCHEMBL912292 0.78 MGLL (0.55) MGLL

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