SCHEMBL693658

SCHEMBL693658

O=C(c1ccccc1)N1CCC(OC2=CC[CH]C=C2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.49
EPHX1 P07099 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 1/20 0.43
MGLL Q99685 1/20 0.42
HSD11B1 P28845 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
NAMPT P43490 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL693535 0.80 IKBKB (0.39) NAMPT
SCHEMBL14597201 0.77 ACHE (0.61) ACHEEPHX1L3MBTL3L3MBTL1ALDH1A1
SCHEMBL4719870 0.75 OPRK1 (0.34)
SCHEMBL188649 0.72 HRH3 (0.40) KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL27748883 0.72 ACHE (0.68) ACHEEPHX1L3MBTL3L3MBTL1ALDH1A1
SCHEMBL4678438 0.72 ACHE (0.63) ACHEEPHX1L3MBTL3L3MBTL1KMT2A
SCHEMBL693657 0.71 ALDH1A1 (0.55) ACHEEPHX1L3MBTL3L3MBTL1ALDH1A1
SCHEMBL1808901 0.71 MGLL (0.63) ACHEALDH1A1HTTLMNAKMT2A
SCHEMBL2781381 0.71 MEN1 (0.68) ACHEEPHX1L3MBTL3L3MBTL1KMT2A
SCHEMBL17875071 0.70 EPHX1 (0.78) ACHEEPHX1L3MBTL3L3MBTL1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421824-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
WO-2010124114-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
EP-2421824-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
WO-2010124114-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed