SCHEMBL4564195

SCHEMBL4564195

CC(C)(C)OC(=O)N1CCCC1c1ccc(F)c(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.48
LMNA P02545 4/20 0.46
TSHR P16473 3/20 0.46
NPC1 O15118 1/20 0.44
UCHL1 P09936 1/20 0.43
ALDH1A1 P00352 3/20 0.43
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
NPSR1 Q6W5P4 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 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
SCHEMBL26985266 0.88 UCHL1 (0.49) RIPK1LMNATSHRNPC1UCHL1
SCHEMBL16881401 0.85 ALDH1A1 (0.44) RIPK1LMNATSHRNPC1UCHL1
SCHEMBL31226469 0.84 ALOX5AP (0.45) RIPK1LMNATSHRNPC1UCHL1
SCHEMBL28052467 0.84 TACR1 (0.40) LMNATSHR
SCHEMBL31226409 0.84 ALOX5AP (0.45) RIPK1LMNATSHRNPC1UCHL1
SCHEMBL30679850 0.84 ALOX5AP (0.45) RIPK1LMNATSHRNPC1UCHL1
SCHEMBL31413078 0.84 ALDH1A1 (0.52) RIPK1LMNATSHRUCHL1ALDH1A1
SCHEMBL932475 0.84 NTRK1 (0.50) RIPK1
SCHEMBL932474 0.84 NTRK1 (0.50) RIPK1
SCHEMBL17041234 0.84 RIPK1 (0.50) RIPK1LMNATSHRNPC1UCHL1

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-2125829-A2 BICYCLIC OXOMORPHOLINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2009-12-02 EP disclosed
WO-2008108378-A2 BICYCLIC OXOMORPHOLINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-12 WO disclosed