SCHEMBL5174281

SCHEMBL5174281

CC(C)(C)OC(=O)N1CCNC[C@@]1(O)CCCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.40
POLB P06746 2/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
STS P08842 1/20 0.36
MAPK1 P28482 1/20 0.36
SLC2A1 P11166 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NR1H2 P55055 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NPY1R P25929 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL5177114 0.82 POLB (0.43) SIGMAR1POLBPKMLMNAMAPT
SCHEMBL4321471 0.78 STS (0.39) PKMSTSMAPK1KMT2AKEAP1
SCHEMBL6535958 0.76 MEN1 (0.41) SIGMAR1POLBSTSMEN1KMT2A
SCHEMBL25414924 0.74 MEN1 (0.42) MAPTMEN1KMT2A
SCHEMBL4710880 0.73 NR1H2 (0.39) PKMMAPK1NR1H2OPRD1OPRK1
SCHEMBL22365602 0.72 OPRD1 (0.36) PKMSTSMAPK1MEN1KMT2A
SCHEMBL28637688 0.72 NR1H2 (0.40) PKMMAPK1MEN1KMT2ANR1H2
SCHEMBL30151394 0.72 NR1H2 (0.40) PKMMAPK1NR1H2OPRD1OPRK1
SCHEMBL3733138 0.71 MAPK1 (0.39) SIGMAR1PKMMAPK1MEN1KMT2A
SCHEMBL25423853 0.71 MAPK1 (0.37) PKMMAPTSTSMAPK1MEN1

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-1740573-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
WO-2005108391-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 WO disclosed