SCHEMBL4035430

SCHEMBL4035430

CN(C)CCNC(=O)C1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.47
MMP9 P14780 5/20 0.47
MMP3 P08254 4/20 0.47
MMP7 P09237 4/20 0.47
MMP13 P45452 4/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
GAA P10253 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
SCHEMBL5634717 0.92 GAA (0.46) MMP1MMP9MMP3MMP7MMP13
SCHEMBL5634849 0.86 MMP1 (0.52) MMP1MMP9MMP3MMP7MMP13
SCHEMBL4038558 0.84 MMP1 (0.51) MMP1MMP9MMP3MMP7MMP13
SCHEMBL5634718 0.82 HCRTR1 (0.47) MMP1MMP9MMP3MMP7MMP13
SCHEMBL5635564 0.79 MMP1 (0.51) MMP1MMP9MMP3MMP7MMP13
SCHEMBL5635339 0.76 MMP1 (0.50) MMP1MMP9MMP3MMP7MMP13
SCHEMBL4032820 0.76 GAA (0.49) MMP1MMP9MMP3MMP7MMP13
SCHEMBL4035214 0.76 MAPT (0.46) MMP1MMP9MMP3MMP7MMP13
SCHEMBL5635556 0.74 MMP1 (0.53) MMP1MMP9MMP3MMP7MMP13
SCHEMBL4033302 0.72 MMP1 (0.48) MMP1MMP9MMP3MMP7MMP13

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