SCHEMBL6583157

SCHEMBL6583157

CN1CCC[C@H]1COc1cncc(-c2ccc3ccccc3c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB1 P11230 20/20 1.00
CHRNB2 P17787 20/20 1.00
CHRNB4 P30926 20/20 1.00
CHRNA3 P32297 20/20 1.00
CHRNB3 Q05901 20/20 1.00

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 SCHEMBL6585021 0.99 CHRNB1 (0.98) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL6583143 0.89 CHRNB1 (1.00) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL6585020 0.89 CHRNB1 (1.00) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL14311702 0.89 CHRNB1 (1.00) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL6583732 0.89 CHRNB1 (1.00) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
Hydrochloric Acid SCHEMBL6585247 0.88 CHRNB1 (0.98) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
Hydrochloric Acid SCHEMBL6583237 0.87 CHRNB1 (0.98) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
Hydrochloric Acid SCHEMBL6589203 0.87 CHRNB1 (0.98) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL6584016 0.85 CHRNB2 (1.00) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL6582918 0.84 CHRNB1 (1.00) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3

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
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
US-5629325-A TREATMENT OF NERVOUS SYSTEM DISORDERS; NEURONAL NICOTINIC CHOLINERGIC COMPOUNDS ABBOTT LABORATORIES (US) 1997-05-13 US disclosed