SCHEMBL6587447

SCHEMBL6587447

CC(C)(C)OC(=O)N1CC[C@H]1COc1cncc(-c2cncnc2)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 12/20 0.56
CHRNB4 P30926 12/20 0.56
CHRNA3 P32297 12/20 0.56
CHRNB1 P11230 11/20 0.56
CHRNB3 Q05901 11/20 0.56
GPR119 Q8TDV5 1/20 0.42
CHRNA4 P43681 1/20 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
SCHEMBL7672437 0.94 CHRNB2 (0.63) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL6585505 0.90 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL7465912 0.87 CHRNB2 (0.57) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL6589644 0.86 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL7475109 0.86 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL7475438 0.86 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL6583208 0.85 CHRNB1 (0.61) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL7669886 0.85 CHRNB4 (0.46) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL14941847 0.85 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL7474322 0.85 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3

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