SCHEMBL28206181

SCHEMBL28206181

[CH2]c1n[nH]c2ccc(C(C)C)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 4/20 0.43
HTR1B P28222 3/20 0.41
KIF11 P52732 1/20 0.39
GSK3B P49841 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
HTR2A P28223 1/20 0.35
EIF4A3 P38919 2/20 0.34
MAPT P10636 2/20 0.33
PDPK1 O15530 2/20 0.33
JAK2 O60674 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
AURKA O14965 2/20 0.33
AURKB Q96GD4 2/20 0.33
UBE2N P61088 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DAPK3 O43293 1/20 0.33
MAP4K4 O95819 1/20 0.33

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
SCHEMBL84556 0.80 ADORA2A (0.43) HTR1DHTR1BKIF11GSK3BKDM4E
SCHEMBL2661889 0.80 JAK2 (0.55) HTR1DGSK3BKDM4EGAAPDPK1
SCHEMBL12120600 0.80 HTR1D (0.41) HTR1DHTR1BKIF11GSK3BKDM4E
SCHEMBL14737373 0.79 HTR1D (0.40) HTR1DHTR1BKIF11GSK3BKDM4E
SCHEMBL21095943 0.79 HTR1D (0.40) HTR1DHTR1BKIF11GSK3BKDM4E
SCHEMBL14827507 0.79 HTR1D (0.40) HTR1DHTR1BKIF11GSK3BKDM4E
SCHEMBL17828603 0.76 HTR1D (0.41) HTR1DHTR1BKIF11GSK3BKDM4E
SCHEMBL21017808 0.76 HTR1D (0.38) HTR1DHTR1BKIF11GSK3BKDM4E
SCHEMBL6598584 0.73 PRKAG1 (0.55) GSK3BKDM4EGAAEIF4A3DYRK1A
SCHEMBL22888210 0.72 GSK3B (0.48) HTR1DGSK3BKDM4EGAAJAK2

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
CN-107849023-A Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2018-03-27 CN disclosed