SCHEMBL6583123

SCHEMBL6583123

Clc1ncc(OC[C@H]2CCCN2)cc1-c1cncnc1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 3/20 0.55
CHRNB4 P30926 1/20 0.54
CHRNB2 P17787 3/20 0.49
CHRNA4 P43681 3/20 0.49

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
SCHEMBL6585467 1.00 CHRNA3 (0.55) CHRNA3CHRNB4CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL6584504 0.99 CHRNA3 (0.54) CHRNA3CHRNB4CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL6585334 0.99 CHRNA3 (0.54) CHRNA3CHRNB4CHRNB2CHRNA4
SCHEMBL6582415 0.91 CHRNB2 (0.53) CHRNA3CHRNB4CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL6587839 0.90 CHRNB2 (0.52) CHRNA3CHRNB4CHRNB2CHRNA4
SCHEMBL6583993 0.86 CHRNA3 (0.54) CHRNA3CHRNB4CHRNB2CHRNA4
SCHEMBL6582886 0.86 CHRNA3 (0.58) CHRNA3CHRNB4CHRNB2CHRNA4
SCHEMBL6586539 0.86 CHRNA3 (0.58) CHRNA3CHRNB4CHRNB2CHRNA4
SCHEMBL6583888 0.86 LTA4H (0.60) CHRNA3CHRNB4
Hydrochloric Acid SCHEMBL6588748 0.85 CHRNA3 (0.53) CHRNA3CHRNB4CHRNB2CHRNA4

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 7 patents. 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 claimed
US-6127386-A STIMULANTS, NEUROTRANSMITTERS, CHOLINERGIC AGENTS ABBOTT LABORATORIES (US) 2000-10-03 US claimed
EP-0934308-B1 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LAB (US) 2004-08-11 EP disclosed
US-6437138-B1 5-BROMO-6-CHLORO-3-(2-(S)-AZETIDINYL OR PYRROLIDINYL-METHOXY) PYRIDINE INTERMEDIATES FOR THE 5-SUBSTITUTED COMPOUNDS WHICH ARE POTENT LIGANDS AT NEURONAL NICOTINIC CHOLINERGIC CHANNEL RECEPTORS, NEUROTRANSMITTER CONTROLLING AGENTS ABBOTT LABORATORIES 2002-08-20 US disclosed
US-6127386-A STIMULANTS, NEUROTRANSMITTERS, CHOLINERGIC AGENTS ABBOTT LABORATORIES (US) 2000-10-03 US disclosed
EP-0934308-A1 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 1999-08-11 EP disclosed
WO-1997046554-A1 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1997-12-11 WO disclosed