SCHEMBL7066693

SCHEMBL7066693

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.51
CHRNA10 Q9GZZ6 1/20 0.51
CHRNA9 Q9UGM1 1/20 0.51
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HTT P42858 1/20 0.49
CHEK1 O14757 1/20 0.48
HTR1D P28221 1/20 0.43
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
TMPRSS6 Q8IU80 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
GPR119 Q8TDV5 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41

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
SCHEMBL6550223 0.82 KMT2A (0.51) CHRNA7CHRNA10CHRNA9KMT2AMEN1
SCHEMBL6698558 0.82 MAPT (0.60) CHRNA7KMT2AMEN1ALDH1A1HTT
SCHEMBL2232683 0.80 GAA (0.62) CHRNA7CHRNA10CHRNA9KMT2AMEN1
SCHEMBL3128886 0.78 CHRNA7 (0.58) CHRNA7CHRNA10CHRNA9KMT2AMEN1
SCHEMBL6698448 0.77 ALDH1A1 (0.61) CHRNA7CHRNA10CHRNA9KMT2AMEN1
SCHEMBL6550343 0.77 CHRNA7 (0.54) CHRNA7CHRNA10CHRNA9KMT2AMEN1
SCHEMBL3233096 0.76 MEN1 (0.53) CHRNA7CHRNA10CHRNA9KMT2AMEN1
SCHEMBL4985313 0.75 GFER (0.70) CHRNA7CHRNA10CHRNA9KMT2AMEN1
SCHEMBL1397464 0.75 CHEK1 (0.69) CHRNA7CHRNA10CHRNA9KMT2AALDH1A1
SCHEMBL7067533 0.74 MEN1 (0.54) CHRNA7CHRNA10CHRNA9KMT2AMEN1

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