SCHEMBL6584041

SCHEMBL6584041

COc1ccc(-c2cncc(OC[C@@H]3CCCN3C)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 20/20 1.00
CHRNA3 P32297 20/20 1.00
CHRNB1 P11230 19/20 1.00
CHRNB2 P17787 19/20 1.00
CHRNB3 Q05901 19/20 1.00
CHRNA4 P43681 1/20 0.65

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 SCHEMBL6589142 0.99 CHRNB2 (0.98) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL6584016 0.89 CHRNB2 (1.00) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL6582607 0.88 CHRNB4 (1.00) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL6584666 0.88 CHRNB4 (1.00) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL6583744 0.88 CHRNB2 (1.00) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
Hydrochloric Acid SCHEMBL6586673 0.88 CHRNB2 (0.98) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL6583732 0.88 CHRNB1 (1.00) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL14311702 0.88 CHRNB1 (1.00) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL6585020 0.88 CHRNB1 (1.00) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
Hydrochloric Acid SCHEMBL7669002 0.87 CHRNB4 (0.98) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3

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 6 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
US-5629325-A TREATMENT OF NERVOUS SYSTEM DISORDERS; NEURONAL NICOTINIC CHOLINERGIC COMPOUNDS ABBOTT LABORATORIES (US) 1997-05-13 US disclosed