SCHEMBL6582599

SCHEMBL6582599

COCCOc1cncc(OC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.51
CHRNA4 P43681 5/20 0.51
CHRNA3 P32297 4/20 0.51
CHRNB4 P30926 2/20 0.51
CHRNB3 Q05901 2/20 0.48
CHRNA6 Q15825 1/20 0.48
ALOX5AP P20292 1/20 0.47
FEN1 P39748 1/20 0.47
CHRNB1 P11230 1/20 0.47
CHRNA2 Q15822 1/20 0.46

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
SCHEMBL6582597 0.86 CHRNB2 (0.49) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB3
SCHEMBL3934735 0.85 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB3
SCHEMBL7370320 0.85 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB3
SCHEMBL14941871 0.85 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB3
SCHEMBL6587123 0.85 CHRNB2 (0.61) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB3
SCHEMBL3357692 0.85 CHRNB2 (0.61) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB3
SCHEMBL1241249 0.85 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB3
SCHEMBL14941814 0.85 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB3
SCHEMBL1241247 0.85 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB3
SCHEMBL2495176 0.85 CHRNB2 (0.61) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB3

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 3 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 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