SCHEMBL6584883

SCHEMBL6584883

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.48
ALOX5AP P20292 3/20 0.46
FEN1 P39748 1/20 0.46
UCHL1 P09936 3/20 0.45
USP30 Q70CQ3 3/20 0.45
CHRNB4 P30926 3/20 0.45
CHRNA3 P32297 3/20 0.45
CHRNB1 P11230 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB3 Q05901 1/20 0.45
GPR119 Q8TDV5 2/20 0.44
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
CKS1B P61024 2/20 0.43
SKP1 P63208 2/20 0.43
SKP2 Q13309 2/20 0.43
CHRNA7 P36544 1/20 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
SCHEMBL6585428 1.00 EP300 (0.48) EP300ALOX5APFEN1UCHL1USP30
SCHEMBL6584627 0.90 CHRNB4 (0.56) ALOX5APFEN1UCHL1USP30CHRNB4
SCHEMBL6583117 0.90 CHRNB4 (0.56) ALOX5APFEN1UCHL1USP30CHRNB4
SCHEMBL6586830 0.84 CHRNB4 (0.50) ALOX5APUCHL1USP30CHRNB4CHRNA3
SCHEMBL6586921 0.84 CHRNB4 (0.50) ALOX5APUCHL1USP30CHRNB4CHRNA3
SCHEMBL27936838 0.82 ABHD6 (0.50) ALOX5APFEN1CHRNB4CHRNA3CHRNB2
SCHEMBL938053 0.82 ABHD6 (0.50) ALOX5APFEN1CHRNB4CHRNA3CHRNB2
SCHEMBL938055 0.82 ABHD6 (0.50) ALOX5APFEN1CHRNB4CHRNA3CHRNB2
SCHEMBL6585268 0.82 CHRNB4 (0.66) ALOX5APFEN1CHRNB4CHRNA3CHRNB1
SCHEMBL6585399 0.82 CHRNB4 (0.66) ALOX5APFEN1CHRNB4CHRNA3CHRNB1

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 4 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
US-5629325-A TREATMENT OF NERVOUS SYSTEM DISORDERS; NEURONAL NICOTINIC CHOLINERGIC COMPOUNDS ABBOTT LABORATORIES (US) 1997-05-13 US disclosed