SCHEMBL16498084

SCHEMBL16498084

CN(C)c1cnc(-c2ccccc2-c2csc(N(C(=O)C(CC(=O)O)CC3CCCC3)C3CC3)n2)cn1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 11/20 0.71
SLC12A5 Q9H2X9 5/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
CTSK P43235 1/20 0.33
CYP1A2 P05177 1/20 0.32
TYR P14679 1/20 0.32
UCHL1 P09936 1/20 0.32
USP30 Q70CQ3 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
SCHEMBL16498080 1.00 FFAR2 (0.71) FFAR2SLC12A5MMP2MMP9MMP12
SCHEMBL1914991 0.91 FFAR2 (0.79) FFAR2SLC12A5MMP2MMP9MMP12
SCHEMBL1914986 0.91 FFAR2 (0.79) FFAR2SLC12A5MMP2MMP9MMP12
SCHEMBL16498302 0.89 FFAR2 (0.70) FFAR2SLC12A5CYP1A2TYRUCHL1
SCHEMBL16498305 0.89 FFAR2 (0.70) FFAR2SLC12A5CYP1A2TYRUCHL1
SCHEMBL16498610 0.88 FFAR2 (0.84) FFAR2SLC12A5MMP2MMP9MMP12
SCHEMBL16498608 0.88 FFAR2 (0.84) FFAR2SLC12A5MMP2MMP9MMP12
SCHEMBL1916935 0.86 FFAR2 (0.76) FFAR2SLC12A5MMP2MMP9MMP12
SCHEMBL1916938 0.86 FFAR2 (0.76) FFAR2SLC12A5MMP2MMP9MMP12
SCHEMBL16498151 0.86 FFAR2 (0.75) FFAR2SLC12A5MMP2MMP9MMP12

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
WO-2011151434-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-12-08 WO claimed
WO-2011151434-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-12-08 WO disclosed