SCHEMBL6587453

SCHEMBL6587453

CN1CCC[C@H]1COc1cnc(Cl)c(CNC(=O)c2ccc[nH]2)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 5/20 0.51
CHRNA3 P32297 5/20 0.51
CHRNA7 P36544 1/20 0.51
CHRNB2 P17787 4/20 0.48
CHRNB1 P11230 3/20 0.48
CHRNB3 Q05901 3/20 0.48
CHRNA4 P43681 2/20 0.48

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
SCHEMBL6582165 0.80 CHRNA3 (0.49) CHRNB4CHRNA3CHRNA7CHRNB2CHRNB1
SCHEMBL6585265 0.79 CHRNB4 (0.59) CHRNB4CHRNA3CHRNA7CHRNB2CHRNB1
Hydrochloric Acid SCHEMBL6588512 0.79 CHRNA3 (0.48) CHRNB4CHRNA3CHRNA7CHRNB2CHRNB1
SCHEMBL6582895 0.78 CHRNA3 (0.47) CHRNB4CHRNA3CHRNA7CHRNB2CHRNB1
SCHEMBL8150134 0.78 CHRNA3 (0.51) CHRNB4CHRNA3CHRNA7CHRNB2CHRNB1
SCHEMBL8155391 0.78 CHRNA3 (0.54) CHRNB4CHRNA3CHRNA7CHRNB2CHRNB1
SCHEMBL6583184 0.78 CHRNB4 (0.47) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL7831846 0.78 CHRNB4 (0.65) CHRNB4CHRNA3CHRNA7CHRNB2CHRNB1
Hydrochloric Acid SCHEMBL6586429 0.77 CHRNA3 (0.50) CHRNB4CHRNA3CHRNA7CHRNB2CHRNB1
Hydrochloric Acid SCHEMBL7828185 0.77 CHRNB4 (0.64) CHRNB4CHRNA3CHRNA7CHRNB2CHRNB1

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