SCHEMBL4033743

SCHEMBL4033743

CCN1CCCC1CC1CN(c2cccc(OC)c2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1.NC(=O)NC=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
HTR7 P34969 2/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
MAPT P10636 2/20 0.38
JAK2 O60674 1/20 0.38

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
SCHEMBL4035748 0.86 MMP1 (0.40) MMP1MMP3MMP7MMP9MMP13
SCHEMBL4035688 0.71 CA12 (0.39) MMP9CA2CA9CA12CA1
SCHEMBL4038954 0.71 MMP3 (0.43) MMP1MMP3MMP7MMP9MMP13
SCHEMBL4032723 0.70 MMP1 (0.61) RAB9AMMP1MMP3MMP7MMP9
SCHEMBL4038524 0.68 MMP2 (0.34) MMP1MMP3MMP9CA9CA12
SCHEMBL4038496 0.68 PSEN1 (0.39) MMP1MMP3MMP7MMP9MMP13
SCHEMBL4035864 0.68 MEN1 (0.44) SIGMAR1HTTHSD17B10MAPTDRD4
SCHEMBL4033428 0.64 MMP1 (0.59) MMP1MMP3MMP7MMP9MMP13
SCHEMBL5634226 0.63 MCHR1 (0.55) RAB9AMMP1MMP3MMP7MMP9
SCHEMBL3937356 0.63 ADAM17 (0.50) MMP1MMP3MMP9MMP13

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