SCHEMBL4038524

SCHEMBL4038524

CCN(CC)CCC1CN(c2ccccc2-c2ccccc2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1.NC(=O)NC=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.34
MMP9 P14780 3/20 0.34
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
MMP12 P39900 1/20 0.33
MMP14 P50281 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL4037792 0.83 ALDH1A1 (0.37) MMP9MMP1MMP3
SCHEMBL4035688 0.77 CA12 (0.39) MMP2MMP9CA12CA9
SCHEMBL4033157 0.71 DRD2 (0.37)
SCHEMBL4217064 0.70 FABP1 (0.42)
SCHEMBL4208499 0.69 GAA (0.47)
SCHEMBL4035190 0.69 ADAMTS4 (0.42) MMP9MMP1MMP3
SCHEMBL4214876 0.68 FABP1 (0.40)
SCHEMBL4033743 0.68 RAB9A (0.45) MMP9MMP1MMP3CA12CA9
SCHEMBL4212852 0.67 FABP1 (0.45)
SCHEMBL4208204 0.67 ALDH1A1 (0.44)

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