SCHEMBL8553258

SCHEMBL8553258

CC(Oc1cncc(C#N)c1)[C@@H]1CCN1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 12/20 0.41
CHRNA4 P43681 12/20 0.41
GPR119 Q8TDV5 1/20 0.39
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA2 Q15822 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
SCHEMBL8554594 1.00 CHRNB2 (0.41) CHRNB2CHRNA4GPR119CHRNB4CHRNA3
SCHEMBL8550383 0.93 GPR119 (0.37) CHRNB2CHRNA4GPR119CHRNB4CHRNA3
SCHEMBL6239398 0.82 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2
SCHEMBL4727579 0.82 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2
SCHEMBL4961430 0.80 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2
SCHEMBL8554842 0.80 KDM4E (0.35) CHRNB2CHRNA4
SCHEMBL4961425 0.80 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2
SCHEMBL14131571 0.80 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2
SCHEMBL8508192 0.79 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2
SCHEMBL6235429 0.78 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0846114-A1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 1998-06-10 EP claimed
WO-1996040682-A1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1996-12-19 WO claimed
EP-0846114-A1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 1998-06-10 EP disclosed
WO-1996040682-A1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1996-12-19 WO disclosed