SCHEMBL6270469

SCHEMBL6270469

NC(=O)c1ccc(N2CCC(N3CCOCC3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.57
L3MBTL3 Q96JM7 4/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
MBTD1 Q05BQ5 1/20 0.56
TP53BP1 Q12888 1/20 0.56
L3MBTL4 Q8NA19 1/20 0.56
AOC3 Q16853 2/20 0.51
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
ALOX15 P16050 1/20 0.49
GPR119 Q8TDV5 1/20 0.48
ACVR1 Q04771 2/20 0.47
GSK3B P49841 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA10 Q9GZZ6 1/20 0.46
CHRNA9 Q9UGM1 1/20 0.46
JAK2 O60674 2/20 0.45
EPHX2 P34913 1/20 0.45

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
SCHEMBL13034092 0.88 L3MBTL3 (0.71) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL1663610 0.87 USP2 (0.60) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL4037902 0.87 L3MBTL3 (0.69) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL21627430 0.86 AOC3 (0.61) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL4048623 0.84 HRH3 (0.62) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL1397706 0.84 GSK3B (0.62) ALOX15GSK3BMEN1KMT2ACHRNA7
Bromide SCHEMBL27592745 0.82 GSK3B (0.60) ALOX15GSK3BMEN1KMT2ACHRNA7
Hydrochloric Acid SCHEMBL16209943 0.82 GSK3B (0.60) ALOX15GSK3BMEN1KMT2ACHRNA7
SCHEMBL19859000 0.82 ALDH1A1 (0.58) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL30754005 0.81 HRH3 (0.62) HRH3L3MBTL3L3MBTL1ALOX15JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005097103-A2 DIABETES AND METABOLIC SYNDROME THERAPY UTILIZING CATHEPSIN B INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-10-20 WO disclosed