SCHEMBL16498232

SCHEMBL16498232

CN1CC(=O)N(C)c2cc(-c3ccccc3-c3csc(N(C(=O)[C@@H](CC(=O)O)CC4CCCC4)C4CC4)n3)cnc21

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 11/20 0.68
SLC12A5 Q9H2X9 3/20 0.33
USP19 O94966 2/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP12 P39900 1/20 0.30

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
SCHEMBL16498237 1.00 FFAR2 (0.68) FFAR2SLC12A5USP19MMP2MMP9
SCHEMBL1918335 0.90 FFAR2 (0.68) FFAR2SLC12A5USP19MMP2MMP9
SCHEMBL1918331 0.90 FFAR2 (0.68) FFAR2SLC12A5USP19MMP2MMP9
SCHEMBL1916232 0.89 FFAR2 (0.68) FFAR2SLC12A5USP19MMP2MMP9
SCHEMBL1916237 0.89 FFAR2 (0.68) FFAR2SLC12A5USP19MMP2MMP9
SCHEMBL1916544 0.89 FFAR2 (0.67) FFAR2SLC12A5USP19
SCHEMBL1916550 0.89 FFAR2 (0.67) FFAR2SLC12A5USP19
SCHEMBL1916227 0.88 FFAR2 (0.68) FFAR2SLC12A5USP19MMP2MMP9
SCHEMBL1916231 0.88 FFAR2 (0.68) FFAR2SLC12A5USP19MMP2MMP9
SCHEMBL1917466 0.88 FFAR2 (0.68) FFAR2SLC12A5USP19MMP2MMP9

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