SCHEMBL16498367

SCHEMBL16498367

CC(C)C[C@H](CC(=O)O)C(=O)N(c1nc(-c2ccccc2-c2cnc3c(ccn3C)n2)cs1)C1CC1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 11/20 0.65
SLC12A5 Q9H2X9 3/20 0.35
JAK2 O60674 2/20 0.32
JAK3 P52333 2/20 0.32
CYP1A2 P05177 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
SCHEMBL16498372 1.00 FFAR2 (0.65) FFAR2SLC12A5JAK2JAK3CYP1A2
SCHEMBL16498379 0.90 FFAR2 (0.66) FFAR2SLC12A5JAK2JAK3CYP1A2
SCHEMBL16498387 0.90 FFAR2 (0.66) FFAR2SLC12A5JAK2JAK3CYP1A2
SCHEMBL16498807 0.82 FFAR2 (0.70) FFAR2SLC12A5CYP1A2
SCHEMBL16498689 0.82 FFAR2 (0.70) FFAR2SLC12A5CYP1A2
SCHEMBL16498305 0.82 FFAR2 (0.70) FFAR2SLC12A5CYP1A2
SCHEMBL16498302 0.82 FFAR2 (0.70) FFAR2SLC12A5CYP1A2
SCHEMBL16498076 0.81 FFAR2 (0.84) FFAR2SLC12A5JAK2JAK3CYP1A2
SCHEMBL16498079 0.81 FFAR2 (0.84) FFAR2SLC12A5JAK2JAK3CYP1A2
SCHEMBL16498007 0.80 FFAR2 (0.67) FFAR2SLC12A5CYP1A2

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