SCHEMBL6584627

SCHEMBL6584627

CC(C)(C)OC(=O)N1CCC[C@H]1COc1cnc(Cl)c(-c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.56
CHRNA3 P32297 2/20 0.56
CHRNA7 P36544 1/20 0.56
FFAR4 Q5NUL3 1/20 0.46
ALOX5AP P20292 3/20 0.46
FEN1 P39748 1/20 0.46
UCHL1 P09936 3/20 0.45
USP30 Q70CQ3 2/20 0.44
CHRNB1 P11230 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB3 Q05901 1/20 0.44
GPR119 Q8TDV5 2/20 0.43

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
SCHEMBL6583117 1.00 CHRNB4 (0.56) CHRNB4CHRNA3CHRNA7FFAR4ALOX5AP
SCHEMBL6586830 0.94 CHRNB4 (0.50) CHRNB4CHRNA3CHRNA7FFAR4ALOX5AP
SCHEMBL6586921 0.94 CHRNB4 (0.50) CHRNB4CHRNA3CHRNA7FFAR4ALOX5AP
SCHEMBL6585268 0.93 CHRNB4 (0.66) CHRNB4CHRNA3CHRNA7FFAR4ALOX5AP
SCHEMBL6585399 0.93 CHRNB4 (0.66) CHRNB4CHRNA3CHRNA7FFAR4ALOX5AP
SCHEMBL6583242 0.92 CHRNB4 (0.51) CHRNB4CHRNA3CHRNA7ALOX5APFEN1
SCHEMBL6587032 0.90 CHRNB4 (0.49) CHRNB4CHRNA3CHRNA7ALOX5APFEN1
SCHEMBL6585428 0.90 EP300 (0.48) CHRNB4CHRNA3CHRNA7ALOX5APFEN1
SCHEMBL6584883 0.90 EP300 (0.48) CHRNB4CHRNA3CHRNA7ALOX5APFEN1
SCHEMBL6584621 0.89 CHRNB4 (0.46) CHRNB4CHRNA3CHRNA7FFAR4UCHL1

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-5629325-A TREATMENT OF NERVOUS SYSTEM DISORDERS; NEURONAL NICOTINIC CHOLINERGIC COMPOUNDS ABBOTT LABORATORIES (US) 1997-05-13 US disclosed