SCHEMBL4034484

SCHEMBL4034484

CN(C)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4ncccc4c3)C(C(=O)NC(c3ccccc3)c3ccccc3)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.44
MMP9 P14780 4/20 0.44
MMP13 P45452 4/20 0.44
MMP3 P08254 3/20 0.44
MMP7 P09237 3/20 0.44
CHRM1 P11229 1/20 0.41
CAPN1 P07384 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL4032585 0.93 MMP1 (0.49) MMP1MMP9MMP13MMP3MMP7
SCHEMBL4032560 0.90 MMP1 (0.43) MMP1MMP9MMP13MMP3MMP7
SCHEMBL4034091 0.87 GAA (0.49) MMP1MMP9MMP13MMP3MMP7
SCHEMBL4038551 0.86 MMP1 (0.45) MMP1MMP9MMP13MMP3MMP7
SCHEMBL4034480 0.85 GAA (0.57) GAA
SCHEMBL4036727 0.83 CHRM1 (0.48) MMP1MMP9MMP13MMP3MMP7
SCHEMBL4035648 0.82 MMP1 (0.47) MMP1MMP9MMP13MMP3MMP7
SCHEMBL4032608 0.81 MMP1 (0.55) MMP1MMP9MMP13MMP3MMP7
SCHEMBL4032375 0.80 CA12 (0.46)
SCHEMBL4038753 0.80 CHRM1 (0.40) 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