SCHEMBL654269

SCHEMBL654269

C=Cc1cncc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.39
NR1H2 P55055 1/20 0.38
USP30 Q70CQ3 5/20 0.37
F13A1 P00488 1/20 0.34
TGM2 P21980 1/20 0.34
TGM1 P22735 1/20 0.34
CHRNB2 P17787 3/20 0.34
CHRNB4 P30926 3/20 0.34
CHRNA3 P32297 3/20 0.34
CHRNA4 P43681 3/20 0.34
PDE4B Q07343 1/20 0.34
SPR P35270 2/20 0.34
LIPE Q05469 1/20 0.33

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
SCHEMBL652015 0.86 CHRNB2 (0.48) GPR119NR1H2USP30CHRNB2CHRNB4
SCHEMBL652300 0.86 CHRNB2 (0.48) GPR119NR1H2USP30CHRNB2CHRNB4
SCHEMBL3576741 0.83 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL653364 0.81 CHRNB2 (0.51) GPR119CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL649591 0.81 CHRNB2 (0.51) GPR119NR1H2USP30CHRNB2CHRNB4
SCHEMBL651995 0.81 CHRNB2 (0.51) GPR119CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL651511 0.81 CHRNB2 (0.38) GPR119NR1H2USP30F13A1TGM2
SCHEMBL652092 0.78 GPR119 (0.37) GPR119NR1H2USP30CHRNB2CHRNB4
SCHEMBL653201 0.78 GPR119 (0.37) GPR119NR1H2USP30CHRNB2CHRNB4
SCHEMBL4113401 0.77 GPR119 (0.47) GPR119USP30CHRNB2CHRNB4CHRNA3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119635-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2012-02-21 US disclosed
EP-2298775-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-23 EP disclosed
EP-2295437-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-16 EP disclosed