SCHEMBL7006944

SCHEMBL7006944

N#Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.52
HRH1 P35367 1/20 0.52
MBTD1 Q05BQ5 2/20 0.51
L3MBTL3 Q96JM7 2/20 0.51
EPHX2 P34913 1/20 0.51
GPR183 P32249 1/20 0.48
PDK1 Q15118 1/20 0.48
PDK2 Q15119 1/20 0.48
PDK3 Q15120 1/20 0.48
PDK4 Q16654 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HRH3 Q9Y5N1 9/20 0.47
SLC6A7 Q99884 1/20 0.47
KCNH2 Q12809 3/20 0.47
DPP4 P27487 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL7006942 1.00 HRH2 (0.52) HRH2HRH1MBTD1L3MBTL3EPHX2
Trifluoroacetic Acid SCHEMBL7718799 0.92 GPR6 (0.51) HRH2HRH1MBTD1L3MBTL3EPHX2
Trifluoroacetic Acid SCHEMBL7718796 0.92 GPR6 (0.51) HRH2HRH1MBTD1L3MBTL3EPHX2
SCHEMBL16627285 0.78 L3MBTL3 (0.60) MBTD1L3MBTL3EPHX2PDK1PDK2
SCHEMBL31387922 0.77 HPGD (0.68) EPHX2GPR183PDK1PDK2PDK3
SCHEMBL31387924 0.77 HPGD (0.68) EPHX2GPR183PDK1PDK2PDK3
SCHEMBL11439644 0.77 DPP4 (0.66) HRH2HRH1ALDH1A1DPP4L3MBTL1
SCHEMBL21552116 0.77 DPP4 (0.66) HRH2HRH1ALDH1A1DPP4L3MBTL1
SCHEMBL3633068 0.76 HPGD (0.71) EPHX2GPR183PDK1PDK2PDK3
SCHEMBL13088810 0.75 GRM5 (0.51) DPP4

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
EP-0991650-B1 NOVEL N-BENZENESULPHONYL-L-PROLINE COMPOUNDS, PREPARATION METHOD AND USE IN THERAPY FOURNIER IND & SANTE (FR) 2003-09-10 EP disclosed
EP-0991650-A1 NOVEL N-BENZENESULPHONYL-L-PROLINE COMPOUNDS, PREPARATION METHOD AND USE IN THERAPY FOURNIER INDUSTRIE ET SANTE (FR) 2000-04-12 EP disclosed
WO-1999000387-A1 NOVEL N-BENZENESULPHONYL-L-PROLINE COMPOUNDS, PREPARATION METHOD AND USE IN THERAPY FOURNIER INDUSTRIE ET SANTE (FR) 1999-01-07 WO disclosed