SCHEMBL877187

SCHEMBL877187

COc1ccc(-c2ccc(N([C@H](CCn3nnc4c(C)cccc4c3=O)C(=O)O)S(C)(=O)=O)cc2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 11/20 0.41
NR1H4 Q96RI1 2/20 0.36
ABCC1 P33527 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
PDE4B Q07343 1/20 0.33
NR3C1 P04150 1/20 0.33
FFAR1 O14842 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
SCHEMBL878146 0.94 GPR139 (0.41) GPR139NR1H4MMP1MMP2MMP3
SCHEMBL874055 0.89 MMP1 (0.44) GPR139MMP1MMP2MMP3MMP9
SCHEMBL877310 0.89 MMP1 (0.44) GPR139MMP1MMP2MMP3MMP9
SCHEMBL877066 0.89 MMP1 (0.44) GPR139MMP1MMP2MMP3MMP9
SCHEMBL877710 0.86 GPR139 (0.41) GPR139MMP1MMP2MMP3MMP9
SCHEMBL877960 0.85 GPR139 (0.42) GPR139NR1H4MMP1MMP2MMP3
SCHEMBL877196 0.85 MMP1 (0.43) GPR139MMP1MMP2MMP3MMP9
SCHEMBL876807 0.84 GPR139 (0.42) GPR139MMP1MMP2MMP3MMP9
SCHEMBL877097 0.84 EIF4EBP1 (0.39) GPR139NR1H4ABCC1MMP1MMP2
SCHEMBL876683 0.83 GPR139 (0.40) GPR139MMP1MMP2MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619179-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038944-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed