SCHEMBL6583433

SCHEMBL6583433

CC(C)(C)OC(=O)N1CC[C@H]1COc1cncc(Br)c1.CC(C)(C)OC(=O)N1CC[C@H]1COc1cncc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 10/20 0.47
CHRNA4 P43681 4/20 0.47
CHRNA3 P32297 7/20 0.43
CHRNA2 Q15822 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
UCHL1 P09936 1/20 0.40
USP30 Q70CQ3 1/20 0.40
CHRNB4 P30926 3/20 0.39
CHRNB1 P11230 2/20 0.39
CHRNB3 Q05901 2/20 0.39
IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL7672981 0.94 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA3CHRNA2GPR119
SCHEMBL2300523 0.92 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA3CHRNA2GPR119
SCHEMBL6586600 0.92 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA3CHRNA2GPR119
SCHEMBL2185913 0.92 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA3CHRNA2GPR119
SCHEMBL3358944 0.88 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNA2GPR119
SCHEMBL2495176 0.86 CHRNB2 (0.61) CHRNB2CHRNA4CHRNA3CHRNA2GPR119
SCHEMBL3357692 0.86 CHRNB2 (0.61) CHRNB2CHRNA4CHRNA3CHRNA2GPR119
SCHEMBL6587123 0.86 CHRNB2 (0.61) CHRNB2CHRNA4CHRNA3CHRNA2GPR119
Hydrochloric Acid SCHEMBL6584130 0.85 CHRNB2 (0.60) CHRNB2CHRNA4CHRNA3CHRNA2GPR119
SCHEMBL3357194 0.85 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA3CHRNA2CHRNB4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934308-B1 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LAB (US) 2004-08-11 EP disclosed