SCHEMBL28044586

SCHEMBL28044586

CC(C)(C)OC(=O)N1CC2Cc3c(cnn3CCO)C2C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.44
PIK3CD O00329 8/20 0.39
USP30 Q70CQ3 1/20 0.39
LIPE Q05469 2/20 0.37
RORC P51449 1/20 0.36
SPR P35270 1/20 0.35
CNR1 P21554 1/20 0.35
PDE4B Q07343 2/20 0.35
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL28044502 0.83 PIK3CD (0.39) NR1H2PIK3CDUSP30LIPESPR
SCHEMBL1881390 0.71 ESR2 (0.47) NR1H2CNR1
SCHEMBL20557865 0.71 ELANE (0.39) NR1H2PIK3CDCNR1
SCHEMBL16993112 0.70 NR1H2 (0.60) NR1H2GPR119
SCHEMBL16993114 0.70 NR1H2 (0.60) NR1H2GPR119
SCHEMBL28044588 0.69 NR1H2 (0.44) NR1H2USP30LIPERORCSPR
SCHEMBL28044510 0.69 USP30 (0.42) NR1H2PIK3CDUSP30LIPERORC
SCHEMBL5940329 0.68 NR1H2 (0.54) NR1H2USP30LIPERORCPDE4B
SCHEMBL5938643 0.68 NR1H2 (0.54) NR1H2USP30LIPERORCPDE4B
SCHEMBL22484217 0.66 NR1H2 (0.52) NR1H2GPR119

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
CN-105085530-A Fused tricyclic substituted amino six-membered ring derivative and application thereof in medicine SICHUAN HAISCO PHARMACEUTICAL CO LTD 2015-11-25 CN disclosed