SCHEMBL6584401

SCHEMBL6584401

C=Cc1cncc(OC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.47
CHRNA3 P32297 5/20 0.47
CHRNB4 P30926 4/20 0.47
CHRNA4 P43681 4/20 0.47
CHRNB1 P11230 3/20 0.47
CHRNB3 Q05901 3/20 0.47
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
CHRNA2 Q15822 1/20 0.43
GPR119 Q8TDV5 2/20 0.42

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
SCHEMBL7478448 0.94 CHRNB2 (0.42) CHRNB2CHRNA3CHRNB4CHRNA4CHRNB1
SCHEMBL6583076 0.88 CHRNB2 (0.48) CHRNB2CHRNA3CHRNB4CHRNA4CHRNB1
SCHEMBL6585637 0.88 CHRNB2 (0.48) CHRNB2CHRNA3CHRNB4CHRNA4CHRNB1
SCHEMBL6583081 0.88 CHRNB2 (0.48) CHRNB2CHRNA3CHRNB4CHRNA4CHRNB1
SCHEMBL6585641 0.88 CHRNB2 (0.48) CHRNB2CHRNA3CHRNB4CHRNA4CHRNB1
SCHEMBL6583881 0.87 CHRNB2 (0.66) CHRNB2CHRNA3CHRNB4CHRNA4CHRNB1
SCHEMBL6583758 0.87 CHRNB2 (0.66) CHRNB2CHRNA3CHRNB4CHRNA4CHRNB1
SCHEMBL6583755 0.87 CHRNB2 (0.66) CHRNB2CHRNA3CHRNB4CHRNA4CHRNB1
SCHEMBL3881666 0.86 CHRNB2 (0.48) CHRNB2CHRNA3CHRNB4CHRNA4CHRNB1
SCHEMBL3357692 0.85 CHRNB2 (0.61) CHRNB2CHRNA3CHRNB4CHRNA4CHRNB1

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