SCHEMBL6583146

SCHEMBL6583146

CN1CCC[C@H]1COc1cncc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB1 P11230 17/20 1.00
CHRNB2 P17787 17/20 1.00
CHRNB4 P30926 17/20 1.00
CHRNA3 P32297 17/20 1.00
CHRNB3 Q05901 17/20 1.00
CHRNA4 P43681 1/20 0.61

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 SCHEMBL8851524 0.99 CHRNB2 (0.98) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL6581934 0.90 CHRNB2 (1.00) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
Hydrochloric Acid SCHEMBL6585166 0.89 CHRNB2 (0.98) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL6583744 0.88 CHRNB2 (1.00) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
Hydrochloric Acid SCHEMBL6584971 0.87 CHRNB2 (0.98) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL6584016 0.86 CHRNB2 (1.00) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL8438179 0.86 CHRNB2 (0.77) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL8436768 0.86 CHRNB2 (0.77) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
Hydrochloric Acid SCHEMBL6586673 0.85 CHRNB2 (0.98) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL6582607 0.85 CHRNB4 (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