SCHEMBL7253167

SCHEMBL7253167

N#CCN1CCN(c2ccc(C(N)=O)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
CHRNA7 P36544 1/20 0.50
CHRNA10 Q9GZZ6 1/20 0.50
CHRNA9 Q9UGM1 1/20 0.50
SYK P43405 1/20 0.47
POLB P06746 1/20 0.46
F2 P00734 2/20 0.45
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
TMPRSS6 Q8IU80 2/20 0.45
ST14 Q9Y5Y6 2/20 0.45
ITGB3 P05106 4/20 0.44
ITGA2B P08514 4/20 0.44
CHEK1 O14757 1/20 0.44
AOC3 Q16853 1/20 0.43
HTR2A P28223 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
SCHEMBL2232683 0.80 GAA (0.62) MEN1ALDH1A1HTTKMT2ACHRNA7
SCHEMBL6698448 0.80 ALDH1A1 (0.61) MEN1ALDH1A1HTTKMT2ACHRNA7
SCHEMBL6703230 0.79 MAPT (0.61) MEN1ALDH1A1HTTKMT2ACHRNA7
SCHEMBL3233096 0.78 MEN1 (0.53) MEN1ALDH1A1HTTKMT2ACHRNA7
SCHEMBL3128886 0.77 CHRNA7 (0.58) MEN1ALDH1A1HTTKMT2ACHRNA7
SCHEMBL7066698 0.76 DRD4 (0.52) MEN1ALDH1A1HTTKMT2ACHRNA7
SCHEMBL27918278 0.76 MEN1 (0.51) MEN1ALDH1A1HTTKMT2ACHRNA7
SCHEMBL29696209 0.76 ALDH1A1 (0.51) MEN1ALDH1A1HTTKMT2ACHRNA7
SCHEMBL6550343 0.76 CHRNA7 (0.54) MEN1ALDH1A1HTTKMT2ACHRNA7
SCHEMBL6550223 0.76 KMT2A (0.51) MEN1ALDH1A1HTTKMT2ACHRNA7

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-2003048121-A1 THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-06-12 WO disclosed