SCHEMBL6583548

SCHEMBL6583548

Cc1ccc(C#Cc2cncc(OC[C@@H]3CCCN3C)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 17/20 1.00
CHRNA3 P32297 13/20 1.00
CHRNB4 P30926 6/20 1.00
CHRNB1 P11230 5/20 1.00
CHRNB3 Q05901 5/20 1.00
CHRNA4 P43681 6/20 0.71
CHRNA2 Q15822 1/20 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 SCHEMBL6585308 0.99 CHRNB2 (0.98) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL4725367 0.90 CHRNB2 (1.00) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL2501426 0.90 CHRNB2 (1.00) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
Hydrochloric Acid SCHEMBL6585118 0.89 CHRNB2 (0.98) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL12190816 0.86 CHRNB2 (0.77) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL8305152 0.86 CHRNB2 (0.77) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL12190815 0.84 CHRNB2 (0.81) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL13308403 0.84 CHRNB2 (0.74) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL8439489 0.83 CHRNB2 (0.80) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL7676161 0.83 CHRNB2 (0.84) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3

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