SCHEMBL8436385

SCHEMBL8436385

c1cncc(OCC[C@@H]2CCCN2)c1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.59
CHRNA4 P43681 7/20 0.59
CHRNA3 P32297 5/20 0.59
CHRNA7 P36544 3/20 0.59
CHRNB4 P30926 2/20 0.59
CHRNA1 P02708 1/20 0.59
CHRNG P07510 1/20 0.59
CHRNB1 P11230 1/20 0.59
CHRND Q07001 1/20 0.59

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
Hydrochloric Acid SCHEMBL7410981 0.99 CHRNB2 (0.58) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL6608164 0.96 CHRNB2 (0.58) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL3942452 0.86 CHRNA3 (0.81) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL905201 0.86 CHRNA3 (0.81) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL905236 0.86 CHRNA3 (0.81) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
Hydrochloric Acid SCHEMBL8439827 0.84 CHRNA3 (0.78) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
Hydrochloric Acid SCHEMBL7840031 0.84 CHRNA3 (0.78) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL7097966 0.82 CHRNA3 (0.49) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA1
SCHEMBL6610063 0.82 LTA4H (0.57)
SCHEMBL24154367 0.82 CHRNA3 (0.78) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4

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 6 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
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
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