SCHEMBL4210096

SCHEMBL4210096

O=C(O)C(CCn1nnc2cc(F)c(F)cc2c1=O)[C@H](O)CCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 9/20 0.39
P2RY14 Q15391 4/20 0.37
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP3 P08254 2/20 0.36
MMP9 P14780 2/20 0.36
MMP13 P45452 2/20 0.36
GRM2 Q14416 1/20 0.34
FDFT1 P37268 2/20 0.33
PTGER4 P35408 1/20 0.33
TSPO P30536 1/20 0.33
TMEM97 Q5BJF2 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
SCHEMBL1843663 1.00 GPR139 (0.39) GPR139P2RY14MMP1MMP2MMP3
SCHEMBL1844452 0.91 PPARA (0.40) GPR139P2RY14MMP1MMP2MMP3
SCHEMBL1840691 0.90 GPR139 (0.38) GPR139MMP1MMP2MMP3MMP9
SCHEMBL1844476 0.90 MMP2 (0.46) GPR139MMP1MMP2MMP3MMP9
SCHEMBL1843884 0.88 GPR139 (0.46) GPR139MMP1MMP2MMP3MMP9
SCHEMBL4208583 0.88 GPR139 (0.46) GPR139MMP1MMP2MMP3MMP9
SCHEMBL4208578 0.88 GPR139 (0.46) GPR139MMP1MMP2MMP3MMP9
SCHEMBL1843434 0.88 GPR139 (0.40) GPR139P2RY14MMP1MMP2MMP3
SCHEMBL4222057 0.88 GPR139 (0.48) GPR139MMP1MMP2MMP3MMP9
SCHEMBL379750 0.88 GPR139 (0.48) 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-2074093-A2 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-07-01 EP disclosed
WO-2008023336-A2 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-02-28 WO disclosed