SCHEMBL6583259

SCHEMBL6583259

CCCCCCC#Cc1cncc(OC[C@H]2CCCN2)c1

nearest known ligand 0.92

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 13/20 0.67
CHRNA4 P43681 9/20 0.67
CHRNA3 P32297 8/20 0.67
CHRNA2 Q15822 7/20 0.67
CHRNB4 P30926 5/20 0.67

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
SCHEMBL6582561 1.00 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA3CHRNA2CHRNB4
Hydrochloric Acid SCHEMBL6584157 0.99 CHRNB2 (0.66) CHRNB2CHRNA4CHRNA3CHRNA2CHRNB4
Hydrochloric Acid SCHEMBL6586198 0.99 CHRNB2 (0.66) CHRNB2CHRNA4CHRNA3CHRNA2CHRNB4
SCHEMBL13322059 0.99 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA3CHRNA2CHRNB4
SCHEMBL14941338 0.96 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA3CHRNA2CHRNB4
SCHEMBL16341106 0.96 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA3CHRNA2CHRNB4
SCHEMBL16321888 0.96 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA3CHRNA2CHRNB4
SCHEMBL7674769 0.93 CHRNB2 (0.78) CHRNB2CHRNA4CHRNA3CHRNA2CHRNB4
Hydrochloric Acid SCHEMBL6584852 0.92 CHRNB2 (0.77) CHRNB2CHRNA4CHRNA3CHRNA2CHRNB4
SCHEMBL4727391 0.88 CHRNB2 (0.86) CHRNB2CHRNA4CHRNA3CHRNA2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127386-A STIMULANTS, NEUROTRANSMITTERS, CHOLINERGIC AGENTS ABBOTT LABORATORIES (US) 2000-10-03 US claimed
EP-0934308-A1 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 1999-08-11 EP claimed
WO-1997046554-A1 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1997-12-11 WO 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