SCHEMBL6915307

SCHEMBL6915307

CN1C(=O)N(Cc2ccc([S+](C)[O-])cc2)Cc2cc(C#CCc3ccccc3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 10/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
GRM5 P41594 2/20 0.37
GRIN1 Q05586 3/20 0.33
DRD3 P35462 1/20 0.32
KCNH2 Q12809 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
EPHX2 P34913 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL6917143 0.93 DRD3 (0.33) MMP13SLC22A8DRD3KCNH2
SCHEMBL6704758 0.90 GRM5 (0.44) MMP13SLC22A8GRM5GRIN1DRD3
SCHEMBL6706809 0.87 MMP13 (0.42) MMP13SLC22A8GRM5DRD3KCNH2
SCHEMBL6706842 0.86 MMP13 (0.48) MMP13SLC22A8GRM5
SCHEMBL5697101 0.86 MMP13 (0.41) MMP13SLC22A8GRM5
SCHEMBL6706890 0.85 MMP13 (0.55) MMP13SLC22A8GRM5FFAR1FFAR4
SCHEMBL6706100 0.85 MMP13 (0.42) MMP13SLC22A8GRM5
SCHEMBL6706967 0.83 MMP13 (0.38) MMP13SLC22A8GRM5FFAR1FFAR4
SCHEMBL6919220 0.82 MMP13 (0.40) MMP13GRM5
SCHEMBL6704965 0.79 MMP13 (0.42) MMP13SLC22A8GRM5FFAR1FFAR4

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
WO-2004014869-A2 5,6-FUSED 3,4-DIHYDROPYRIMIDINE-2-ONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed