SCHEMBL20117300

SCHEMBL20117300

CC(C)(C)COC(=O)N1CC(c2nc(-c3ccc(C=N)c(NC4COC4)c3)no2)C1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
GRM5 P41594 15/20 0.39
KIT P10721 2/20 0.37
SPHK2 Q9NRA0 2/20 0.37
SPHK1 Q9NYA1 1/20 0.37

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
SCHEMBL20676712 0.88 GRM5 (0.40) GRM5
SCHEMBL20676713 0.87 FAAH (0.40) FAAHMGLLGRM5KIT
SCHEMBL20116723 0.82 LMNA (0.42)
SCHEMBL20117211 0.80 KIT (0.36) GRM5KIT
SCHEMBL20116072 0.78 GRM5 (0.42) FAAHMGLLGRM5
SCHEMBL20116790 0.77 HDAC4 (0.43) GRM5KIT
SCHEMBL20116823 0.77 SMN1; SMN2 (0.46)
SCHEMBL20676430 0.76 LMNA (0.41)
SCHEMBL20116751 0.76 LMNA (0.53) MGLL
SCHEMBL20676496 0.75 HDAC4 (0.42) KIT

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
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed