SCHEMBL4032723

SCHEMBL4032723

CCN1CCCC1CNC(=O)C1CN(C(=O)Nc2cccc(OC)c2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.61
MMP9 P14780 5/20 0.61
MMP13 P45452 4/20 0.61
MMP3 P08254 4/20 0.61
MMP7 P09237 4/20 0.61
RAB9A P51151 2/20 0.56
HCRTR1 O43613 4/20 0.51
HCRTR2 O43614 4/20 0.51
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 2/20 0.46
CCR3 P51677 1/20 0.46
CYP3A4 P08684 1/20 0.45
MCHR1 Q99705 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL5634226 0.89 MCHR1 (0.55) MMP1MMP9MMP13MMP3MMP7
SCHEMBL5634718 0.87 HCRTR1 (0.47) MMP1MMP9MMP13MMP3MMP7
SCHEMBL14499807 0.85 MMP1 (0.48) MMP1MMP9MMP13MMP3MMP7
SCHEMBL14499810 0.85 MMP1 (0.48) MMP1MMP9MMP13MMP3MMP7
SCHEMBL14499808 0.85 MMP1 (0.48) MMP1MMP9MMP13MMP3MMP7
SCHEMBL14499809 0.85 MMP1 (0.48) MMP1MMP9MMP13MMP3MMP7
SCHEMBL5636064 0.83 MCHR1 (0.51) MMP1MMP9MMP13MMP3MMP7
SCHEMBL4033428 0.82 MMP1 (0.59) MMP1MMP9MMP13MMP3MMP7
SCHEMBL4032630 0.77 ALDH1A1 (0.56) MMP9LMNAALDH1A1HTT
SCHEMBL5635564 0.71 MMP1 (0.51) MMP1MMP9MMP13MMP3MMP7

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
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed