SCHEMBL6703175

SCHEMBL6703175

O=CN(O)C(CCCc1ncccn1)CS(=O)(=O)N1CCN(c2ncc(-c3ccc(F)cc3F)cn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP7 P09237 1/20 0.61
MMP13 P45452 6/20 0.61
CYP3A4 P08684 4/20 0.61
MMP14 P50281 5/20 0.47
ADAMTS4 O75173 5/20 0.47
KCNH2 Q12809 3/20 0.47
MMP1 P03956 3/20 0.36
KDM4E B2RXH2 2/20 0.35
SLC6A4 P31645 1/20 0.34
PKM P14618 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32

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
SCHEMBL6646070 0.92 MMP7 (0.60) MMP7MMP13CYP3A4MMP14ADAMTS4
SCHEMBL6807839 0.90 MMP7 (0.65) MMP7MMP13CYP3A4MMP14ADAMTS4
SCHEMBL6807846 0.90 MMP7 (0.65) MMP7MMP13CYP3A4MMP14ADAMTS4
SCHEMBL6800841 0.88 MMP7 (0.57) MMP7MMP13CYP3A4MMP14ADAMTS4
SCHEMBL6673020 0.85 MMP7 (0.57) MMP7MMP13CYP3A4MMP14ADAMTS4
SCHEMBL6806495 0.85 MMP7 (0.57) MMP7MMP13CYP3A4MMP14ADAMTS4
SCHEMBL6644519 0.85 MMP7 (0.66) MMP7MMP13CYP3A4MMP14ADAMTS4
SCHEMBL14252774 0.83 MMP7 (0.68) MMP7MMP13CYP3A4MMP14ADAMTS4
SCHEMBL5883721 0.83 MMP7 (0.68) MMP7MMP13CYP3A4MMP14ADAMTS4
SCHEMBL6648305 0.83 MMP7 (0.76) MMP7MMP13CYP3A4MMP14ADAMTS4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1417181-A1 ARYLPIPERAZINES AND ARYLPIPERIDINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS AstraZeneca AB (SE) 2004-05-12 EP claimed
WO-2003014092-A1 ARYLPIPERAZINES AND ARYLPIPERIDINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS ASTRAZENECA AB (SE) 2003-02-20 WO claimed
EP-1417181-A1 ARYLPIPERAZINES AND ARYLPIPERIDINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS AstraZeneca AB (SE) 2004-05-12 EP disclosed
WO-2003014092-A1 ARYLPIPERAZINES AND ARYLPIPERIDINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS ASTRAZENECA AB (SE) 2003-02-20 WO disclosed