SCHEMBL651978

SCHEMBL651978

CC(C)(C)OC(=O)N1CC[C@@H]2CN(c3cnc(Cl)c(Cl)c3)C[C@@H]21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.44
CHRNB2 P17787 6/20 0.44
CHRNB4 P30926 6/20 0.44
CHRNA3 P32297 6/20 0.44
CHRNA4 P43681 6/20 0.44
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
RET P07949 1/20 0.42
GPR119 Q8TDV5 9/20 0.39
NAMPT P43490 1/20 0.39
OPRK1 P41145 1/20 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
SCHEMBL653605 1.00 USP30 (0.44) USP30CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL653840 0.91 CHRNB2 (0.47) USP30CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL652007 0.91 CHRNB2 (0.47) USP30CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2079011 0.90 CHRNB2 (0.46) USP30CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12772756 0.90 CHRNB2 (0.46) USP30CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL650326 0.84 NR1H2 (0.46) USP30CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL652419 0.84 NR1H2 (0.46) USP30CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3577310 0.83 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3582994 0.83 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL652009 0.81 GPR119 (0.45) USP30CHRNB2CHRNB4CHRNA3CHRNA4

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 2 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-2295437-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-16 EP disclosed