SCHEMBL6581879

SCHEMBL6581879

COC(=O)c1cncc(OC[C@@H]2CCCN2C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.67
CHRNA4 P43681 5/20 0.67
CHRNA3 P32297 5/20 0.67
CHRNB4 P30926 4/20 0.67
CHRNB1 P11230 3/20 0.65
CHRNB3 Q05901 3/20 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 SCHEMBL6585328 0.99 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL8439525 0.89 CHRNB2 (0.66) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL7675035 0.88 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL7415818 0.88 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
Hydrochloric Acid SCHEMBL6586183 0.87 CHRNB2 (0.68) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
Hydrochloric Acid SCHEMBL8434718 0.87 CHRNB2 (0.68) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL24675505 0.86 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL6583027 0.85 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL24675344 0.85 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
Hydrochloric Acid SCHEMBL6586062 0.84 CHRNB2 (0.64) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1

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
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-5914328-A CONTROL DOPAMINE RELEASE, ACTIVATE CHOLINERGIC CHANNELS ABBOTT LABORATORIES (US) 1999-06-22 US disclosed
US-5629325-A TREATMENT OF NERVOUS SYSTEM DISORDERS; NEURONAL NICOTINIC CHOLINERGIC COMPOUNDS ABBOTT LABORATORIES (US) 1997-05-13 US disclosed