SCHEMBL4565833

SCHEMBL4565833

N#Cc1cc(CON=C2CCN(C(=O)ONCc3ccc(F)cc3)CC2)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
RIPK3 Q9Y572 1/20 0.35
RORC P51449 2/20 0.35
GRM1 Q13255 4/20 0.35
GRM5 P41594 1/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KCNK3 O14649 1/20 0.33
CHRM4 P08173 1/20 0.33
NPC1 O15118 1/20 0.33
METAP2 P50579 1/20 0.33
CHRNA7 P36544 1/20 0.32
GPR52 Q9Y2T5 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
SCHEMBL4387304 0.87 P2RY12 (0.46) P2RY12PTGDR2MEN1KMT2ANPC1
SCHEMBL4381786 0.86 DPP4 (0.39) DPP4DPP8RIPK3RORCGRM5
SCHEMBL4385524 0.84 POLB (0.42) DPP4DPP8RORCGRM5MEN1
SCHEMBL13589008 0.83 KMT2A (0.42) P2RY12DPP4DPP8KMT2ANPC1
SCHEMBL4382790 0.82 PTGDR2 (0.42) DPP4DPP8RORCPTGDR2KMT2A
SCHEMBL4382741 0.82 DPP4 (0.36) DPP4DPP8RIPK3RORCGRM1
SCHEMBL4384414 0.81 S1PR3 (0.36) P2RY12DPP4DPP8RIPK3RORC
SCHEMBL4376868 0.81 DPP4 (0.36) DPP4DPP8RIPK3RORCGRM1
SCHEMBL4387758 0.81 FKBP1A (0.45) DPP4DPP8PTGDR2MEN1KMT2A
SCHEMBL4380717 0.80 GPR183 (0.46) MEN1KMT2ANPC1

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-2040698-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-04-01 EP disclosed
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 WO disclosed