SCHEMBL8435282

SCHEMBL8435282

C[C@H]1CCC(COc2cccnc2)N1C

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.65
CHRNA4 P43681 6/20 0.65
CHRNA3 P32297 6/20 0.65
CHRNB4 P30926 5/20 0.65
CHRNB1 P11230 4/20 0.65
CHRNA7 P36544 3/20 0.65
CHRNB3 Q05901 3/20 0.65
CHRNA1 P02708 2/20 0.65
CHRNG P07510 1/20 0.52
CHRND Q07001 1/20 0.52

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
SCHEMBL7374508 1.00 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL7374510 1.00 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL155343 1.00 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL155974 1.00 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
Hydrochloric Acid SCHEMBL7465854 0.99 CHRNB2 (0.64) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
Hydrochloric Acid SCHEMBL7411186 0.99 CHRNB2 (0.64) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
Hydrochloric Acid SCHEMBL8437416 0.99 CHRNB2 (0.64) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
Hydrochloric Acid SCHEMBL7463132 0.99 CHRNB2 (0.64) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
Hydrochloric Acid SCHEMBL8438541 0.99 CHRNB2 (0.64) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
Hydrochloric Acid SCHEMBL7463126 0.99 CHRNB2 (0.64) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5914328-A CONTROL DOPAMINE RELEASE, ACTIVATE CHOLINERGIC CHANNELS ABBOTT LABORATORIES (US) 1999-06-22 US claimed
US-5948793-A 3-pyridyloxymethyl heterocyclic ether compounds useful in controlling neurotransmitter release ABBOTT LABORATORIES (US) 1999-09-07 US disclosed
US-5914328-A CONTROL DOPAMINE RELEASE, ACTIVATE CHOLINERGIC CHANNELS ABBOTT LABORATORIES (US) 1999-06-22 US disclosed
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