SCHEMBL13993243

SCHEMBL13993243

CC(=O)Oc1ccc(-n2nc(C3CCN(C(=O)OCc4ccccc4)CC3)cc2-c2ccc(O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.53
TRPC3 Q13507 2/20 0.45
TRPC7 Q9HCX4 2/20 0.45
PRMT5 O14744 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MDM2 Q00987 2/20 0.43
CYP2C19 P33261 1/20 0.42
BCL2 P10415 1/20 0.42
MCL1 Q07820 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
HTT P42858 1/20 0.42
FAAH O00519 1/20 0.41
PDE4B Q07343 1/20 0.41

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
SCHEMBL3100058 0.97 MGLL (0.49) MGLLTRPC3TRPC7PRMT5SMN1; SMN2
SCHEMBL13158575 0.93 MGLL (0.54) MGLLTRPC3TRPC7SMN1; SMN2NPC1
SCHEMBL3109291 0.90 MGLL (0.58) MGLLTRPC3TRPC7PRMT5SMN1; SMN2
SCHEMBL3100073 0.89 MDM2 (0.56) MGLLTRPC3TRPC7PRMT5SMN1; SMN2
SCHEMBL3099562 0.88 MGLL (0.56) MGLLTRPC3TRPC7PRMT5SMN1; SMN2
SCHEMBL3100698 0.88 MGLL (0.55) MGLLTRPC3TRPC7PRMT5SMN1; SMN2
SCHEMBL3098084 0.86 MGLL (0.55) MGLLTRPC3TRPC7PRMT5SMN1; SMN2
SCHEMBL3096845 0.86 MGLL (0.55) MGLLTRPC3TRPC7PRMT5SMN1; SMN2
SCHEMBL3093698 0.86 MGLL (0.55) MGLLTRPC3TRPC7PRMT5SMN1; SMN2
SCHEMBL3103473 0.80 MDM2 (0.42) MGLLMDM2BCL2MCL1FAAH

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 EP disclosed