SCHEMBL28044510

SCHEMBL28044510

Cc1ncc2c(n1)CC1CN(C(=O)OC(C)(C)C)CC21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.42
NR1H2 P55055 1/20 0.41
PIK3CD O00329 6/20 0.41
GPR119 Q8TDV5 3/20 0.39
LIPE Q05469 2/20 0.38
RORC P51449 1/20 0.38
JAK1 P23458 1/20 0.37
PDE10A Q9Y233 2/20 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
SCHEMBL28044588 0.77 NR1H2 (0.44) USP30NR1H2GPR119LIPERORC
SCHEMBL3829670 0.75 KDM4E (0.45) USP30NR1H2PIK3CDGPR119JAK1
SCHEMBL20078108 0.72 DDB1 (0.53) NR1H2PIK3CD
SCHEMBL30390991 0.71 CHRM2 (0.41) PIK3CDGPR119JAK1
SCHEMBL30465899 0.71 HCRTR1 (0.48) NR1H2PIK3CDGPR119JAK1PDE10A
SCHEMBL5938643 0.70 NR1H2 (0.54) USP30NR1H2GPR119LIPERORC
SCHEMBL5940329 0.70 NR1H2 (0.54) USP30NR1H2GPR119LIPERORC
SCHEMBL31073472 0.69 MAPT (0.55) NR1H2
SCHEMBL4869824 0.69 MAPT (0.67) NR1H2
SCHEMBL28044586 0.69 NR1H2 (0.44) USP30NR1H2PIK3CDGPR119LIPE

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