SCHEMBL6582880

SCHEMBL6582880

CN1CCC[C@H]1COc1cnc(Cl)c(Br)c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.66
CHRNA3 P32297 4/20 0.66
CHRNA7 P36544 1/20 0.66
CHRNB2 P17787 5/20 0.65
CHRNA4 P43681 5/20 0.65
CHRNB1 P11230 2/20 0.63
CHRNB3 Q05901 2/20 0.63

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
SCHEMBL7528587 1.00 CHRNB4 (0.66) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL6585296 1.00 CHRNB4 (0.66) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL6591049 0.99 CHRNB4 (0.65) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL6594795 0.99 CHRNB4 (0.65) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL7816212 0.92 CHRNA3 (0.61) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL7410204 0.92 CHRNA3 (0.61) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL7816957 0.91 CHRNA3 (0.60) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL7418741 0.91 CHRNA3 (0.60) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL7817031 0.87 CHRNB4 (0.72) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL7826052 0.87 CHRNB4 (0.72) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4

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
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 claimed
EP-0846114-B1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LAB (US) 2001-12-05 EP 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
EP-0846114-B1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LAB (US) 2001-12-05 EP disclosed
US-6127386-A STIMULANTS, NEUROTRANSMITTERS, CHOLINERGIC AGENTS ABBOTT LABORATORIES (US) 2000-10-03 US disclosed
US-5629325-A TREATMENT OF NERVOUS SYSTEM DISORDERS; NEURONAL NICOTINIC CHOLINERGIC COMPOUNDS ABBOTT LABORATORIES (US) 1997-05-13 US disclosed