SCHEMBL654260

SCHEMBL654260

CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CN2c1ccc(Cl)nc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.42
CHRNA4 P43681 7/20 0.42
CHRNB4 P30926 4/20 0.42
CHRNA3 P32297 4/20 0.42
LCK P06239 1/20 0.39
JAK3 P52333 1/20 0.39
BTK Q06187 1/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AR P10275 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
GRM5 P41594 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
SCHEMBL5034056 0.83 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3MEN1
SCHEMBL650326 0.83 NR1H2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3GPR119
SCHEMBL652419 0.83 NR1H2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3GPR119
SCHEMBL3583185 0.82 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL652816 0.81 GPR119 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3LCK
SCHEMBL652549 0.81 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3MEN1
SCHEMBL650346 0.81 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3MEN1
SCHEMBL650044 0.79 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3GPR119
SCHEMBL653782 0.79 NR1H2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3GPR119
SCHEMBL653781 0.79 NR1H2 (0.48) 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