SCHEMBL13482006

SCHEMBL13482006

CC(C)(C)OC(=O)N1CCO[C@H](COc2cccnc2Oc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 3/20 0.48
EPHA2 P29317 4/20 0.47
ERBB2 P04626 1/20 0.45
EPHB4 P54760 1/20 0.45
BUB1 O43683 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
PDE10A Q9Y233 1/20 0.42
GPR119 Q8TDV5 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
SCHEMBL13482977 0.84 EPHA2 (0.54) PDK1EPHA2ERBB2EPHB4BUB1
SCHEMBL3321410 0.83 SCN9A (0.48) GPR119
SCHEMBL3321403 0.83 SCN9A (0.48) GPR119
SCHEMBL28851224 0.82 EPHA2 (0.51) PDK1EPHA2ERBB2EPHB4BUB1
SCHEMBL15058339 0.82 EPHA2 (0.49) PDK1EPHA2ERBB2EPHB4BUB1
SCHEMBL13482008 0.81 EPHA2 (0.51) PDK1EPHA2ERBB2EPHB4BUB1
SCHEMBL4510923 0.81 EPHA2 (0.54) PDK1EPHA2ERBB2EPHB4NR1H4
SCHEMBL8702864 0.79 NR1H4 (0.49) PDK1EPHA2ERBB2EPHB4BUB1
SCHEMBL8702860 0.79 NR1H4 (0.49) PDK1EPHA2ERBB2EPHB4BUB1
SCHEMBL8704689 0.79 NR1H4 (0.49) PDK1EPHA2ERBB2EPHB4BUB1

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
US-7659394-B2 Substituted morpholine compounds for the treatment of central nervous system disorders PFIZER INC (US) 2010-02-09 US disclosed