SCHEMBL6550223

SCHEMBL6550223

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
CHRNA7 P36544 1/20 0.50
CHRNA10 Q9GZZ6 1/20 0.50
CHRNA9 Q9UGM1 1/20 0.50
HTR1D P28221 1/20 0.45
OPRD1 P41143 1/20 0.45
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 5/20 0.44
ITGA2B P08514 5/20 0.44
CHEK1 O14757 1/20 0.44
TMEM97 Q5BJF2 2/20 0.42
SIGMAR1 Q99720 2/20 0.42

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
SCHEMBL458240 0.86 OPRD1 (0.59) KMT2AOPRD1CHEK1TMEM97SIGMAR1
SCHEMBL7066693 0.82 CHRNA7 (0.51) KMT2AMEN1ALDH1A1HTTCHRNA7
SCHEMBL4553991 0.81 OPRD1 (0.54) KMT2AALDH1A1OPRD1F2PRSS1
SCHEMBL2232683 0.80 GAA (0.62) KMT2AMEN1ALDH1A1HTTCHRNA7
SCHEMBL6698448 0.80 ALDH1A1 (0.61) KMT2AMEN1ALDH1A1HTTCHRNA7
SCHEMBL6550226 0.79 MAPT (0.61) KMT2AMEN1ALDH1A1HTTCHRNA7
SCHEMBL3233096 0.78 MEN1 (0.53) KMT2AMEN1ALDH1A1HTTCHRNA7
SCHEMBL3128886 0.77 CHRNA7 (0.58) KMT2AMEN1ALDH1A1HTTCHRNA7
SCHEMBL7253167 0.76 MEN1 (0.51) KMT2AMEN1ALDH1A1HTTCHRNA7
SCHEMBL29696209 0.76 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1HTTCHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383753-A1 PIPERAZINE-BENZAMIDE DERIVATIVES USEFUL AS APOB-100 AND/OR MTP INHIBITOR GLAXO GROUP LIMITED (GB) 2004-01-28 EP claimed
WO-2003047575-A1 THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-06-12 WO claimed
WO-2002083658-A1 PIPERAZINE-BENZAMIDE DERIVATIVES USEFUL AS APOB-100 AND/OR MTP INHIBITOR GLAXO GROUP LIMITED (GB) 2002-10-24 WO claimed
EP-1383753-A1 PIPERAZINE-BENZAMIDE DERIVATIVES USEFUL AS APOB-100 AND/OR MTP INHIBITOR GLAXO GROUP LIMITED (GB) 2004-01-28 EP disclosed
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
WO-2002083658-A1 PIPERAZINE-BENZAMIDE DERIVATIVES USEFUL AS APOB-100 AND/OR MTP INHIBITOR GLAXO GROUP LIMITED (GB) 2002-10-24 WO disclosed