SCHEMBL652005

SCHEMBL652005

CC(C)(C)OC(=O)N1CC[C@@H]2CN(c3cncc(C#N)c3)[C@@H]2C1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.52
CHRNA4 P43681 6/20 0.52
CHRNB4 P30926 5/20 0.52
CHRNA3 P32297 5/20 0.52
GPR119 Q8TDV5 13/20 0.50

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
SCHEMBL650042 1.00 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3GPR119
SCHEMBL653926 0.93 GPR119 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3GPR119
SCHEMBL650730 0.93 GPR119 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3GPR119
SCHEMBL653364 0.91 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3GPR119
SCHEMBL651995 0.91 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3GPR119
SCHEMBL3583071 0.84 CHRNB2 (0.59) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3569093 0.84 CHRNB2 (0.59) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL649418 0.84 CHRNB2 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3GPR119
SCHEMBL649591 0.81 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3GPR119
SCHEMBL653685 0.80 RET (0.46) CHRNB2CHRNA4CHRNB4CHRNA3GPR119

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