SCHEMBL5494970

SCHEMBL5494970

CCOC(=O)N1CCC(C(=O)c2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.60
HSD11B1 P28845 1/20 0.60
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HRH2 P25021 2/20 0.55
HRH1 P35367 2/20 0.55
RECQL P46063 1/20 0.55
CHRM2 P08172 1/20 0.54
BRD4 O60885 1/20 0.52
KDM4E B2RXH2 1/20 0.52
CCR6 P51684 1/20 0.52
HTT P42858 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
GAA P10253 1/20 0.51

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
SCHEMBL10843467 0.92 KDM4E (0.60) MGLLMEN1KMT2AHRH2HRH1
SCHEMBL10963786 0.86 MEN1 (0.68) MGLLHSD11B1MEN1KMT2AHRH2
SCHEMBL5485501 0.84 KDM4E (0.54) MEN1KMT2ARECQLCHRM2BRD4
SCHEMBL10600330 0.84 HSD11B1 (0.65) MGLLHSD11B1KDM4EHTTTDP1
SCHEMBL10968238 0.84 MGLL (0.58) MGLLHSD11B1MEN1KMT2AHRH2
SCHEMBL27453970 0.82 MGLL (0.70) MGLLHSD11B1MEN1KMT2A
SCHEMBL4726771 0.81 KCNH2 (0.60) MGLLHSD11B1MEN1KMT2AHRH2
SCHEMBL9872456 0.80 HSD11B1 (0.60) MGLLHSD11B1MEN1KMT2AHRH2
SCHEMBL10966317 0.79 MGLL (0.59) MGLLHSD11B1MEN1KMT2AHRH2
SCHEMBL10965732 0.78 CCR6 (0.71) MGLLHSD11B1MEN1KMT2ACHRM2

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-1066259-B1 BIOCIDAL BENZYLBIPHENYL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2007-01-10 EP disclosed
US-6440440-B1 BACTERICIDES, FUNGICIDES, NEMATOCIDES, MITICIDES, INSECTICIDES, AND HERBICIDES JANSSEN PHARMACEUTICA N.V. (BE) 2002-08-27 US disclosed
EP-1066259-A1 BIOCIDAL BENZYLBIPHENYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-10 EP disclosed
WO-1999051578-A1 BIOCIDAL BENZYLBIPHENYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1999-10-14 WO disclosed