SCHEMBL6583152

SCHEMBL6583152

CN1CC[C@H]1COc1cncc(-c2ccccc2)c1

nearest known ligand 0.86

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 17/20 0.86
CHRNB1 P11230 15/20 0.86
CHRNB4 P30926 15/20 0.86
CHRNA3 P32297 15/20 0.86
CHRNB3 Q05901 15/20 0.86
CHRNA4 P43681 2/20 0.69

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 SCHEMBL6584062 0.99 CHRNB2 (0.84) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL6585020 0.93 CHRNB1 (1.00) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL6583732 0.93 CHRNB1 (1.00) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL14311702 0.93 CHRNB1 (1.00) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
Hydrochloric Acid SCHEMBL6589203 0.91 CHRNB1 (0.98) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
Hydrochloric Acid SCHEMBL6583237 0.91 CHRNB1 (0.98) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL6586066 0.84 CHRNB2 (0.67) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL3358277 0.83 CHRNB2 (0.62) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL13307529 0.83 CHRNB2 (0.62) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL3356528 0.83 CHRNB2 (0.62) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3

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