SCHEMBL653184

SCHEMBL653184

CC(C)(C)OC(=O)N1CC[C@@H]2CN(c3cnc(Cl)c(Cl)c3)[C@@H]2C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.49
CHRNB4 P30926 4/20 0.49
CHRNA3 P32297 4/20 0.49
CHRNA4 P43681 4/20 0.49
USP30 Q70CQ3 3/20 0.46
GPR119 Q8TDV5 11/20 0.44
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL652111 1.00 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4USP30
SCHEMBL654118 0.91 CHRNB2 (0.52) CHRNB2CHRNB4CHRNA3CHRNA4USP30
SCHEMBL652318 0.91 CHRNB2 (0.52) CHRNB2CHRNB4CHRNA3CHRNA4USP30
SCHEMBL650346 0.84 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4USP30
SCHEMBL652549 0.84 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4USP30
SCHEMBL3574203 0.83 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL3573640 0.83 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL651978 0.79 USP30 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4USP30
SCHEMBL653605 0.79 USP30 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4USP30
SCHEMBL649418 0.79 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4USP30

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