SCHEMBL650730

SCHEMBL650730

CC(C)(C)OC(=O)N1C[C@H]2CCN(c3cncc(C#N)c3)[C@H]2C1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.49
CHRNB2 P17787 6/20 0.47
CHRNA4 P43681 6/20 0.47
CHRNB4 P30926 5/20 0.47
CHRNA3 P32297 5/20 0.47
USP30 Q70CQ3 1/20 0.42

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
SCHEMBL653926 1.00 GPR119 (0.49) GPR119CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL652005 0.93 CHRNB2 (0.52) GPR119CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL650042 0.93 CHRNB2 (0.52) GPR119CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL651995 0.92 CHRNB2 (0.51) GPR119CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL653364 0.92 CHRNB2 (0.51) GPR119CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL18452908 0.86 HRH3 (0.48) GPR119USP30
SCHEMBL652471 0.85 GPR119 (0.47) GPR119USP30
SCHEMBL4113401 0.84 GPR119 (0.47) GPR119CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4113397 0.84 GPR119 (0.47) GPR119CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3579682 0.84 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3USP30

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