SCHEMBL7067533

SCHEMBL7067533

COCCN1CCN(c2ccc(C(N)=O)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CHRNA7 P36544 1/20 0.51
CHRNA10 Q9GZZ6 1/20 0.51
CHRNA9 Q9UGM1 1/20 0.51
SYK P43405 2/20 0.50
SOD1 P00441 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
HTR1A P08908 5/20 0.48
HTR1D P28221 4/20 0.48
DRD2 P14416 3/20 0.48
HTR2A P28223 3/20 0.48
DRD4 P21917 1/20 0.48
CHEK1 O14757 1/20 0.48
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47

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
SCHEMBL1306056 0.87 MEN1 (0.56) MEN1KMT2ASOD1ALDH1A1HTR1A
SCHEMBL14103827 0.87 KMT2A (0.58) MEN1KMT2ASOD1ALDH1A1HTR1A
SCHEMBL5787289 0.86 MAPT (0.59) MEN1KMT2ASOD1ALDH1A1HTT
SCHEMBL5787020 0.86 MEN1 (0.54) MEN1KMT2ASOD1ALDH1A1HTR1A
SCHEMBL3128886 0.84 CHRNA7 (0.58) MEN1KMT2ACHRNA7CHRNA10CHRNA9
SCHEMBL27937113 0.83 HTR1A (0.48) MEN1KMT2ACHRNA7CHRNA10CHRNA9
SCHEMBL3233096 0.82 MEN1 (0.53) MEN1KMT2ACHRNA7CHRNA10CHRNA9
SCHEMBL4499479 0.81 SYK (0.67) SYK
SCHEMBL1812286 0.80 MAPT (0.62) MEN1KMT2ASYKALDH1A1HTT
SCHEMBL6151540 0.80 MAPT (0.62) MEN1KMT2ASYKALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003047575-A1 THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-06-12 WO claimed
WO-2003048121-A1 THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-06-12 WO claimed
WO-2003047575-A1 THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-06-12 WO disclosed