SCHEMBL6587032

SCHEMBL6587032

CC(C)(C)OC(=O)N1CCC[C@@H]1COc1cnc(Cl)c(-c2cccc(N)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.49
CHRNA3 P32297 2/20 0.49
CHRNA7 P36544 1/20 0.49
ALOX5AP P20292 3/20 0.48
FEN1 P39748 1/20 0.48
CHRNB1 P11230 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNB3 Q05901 1/20 0.48
UCHL1 P09936 1/20 0.43
CHRM3 P20309 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
F2RL3 Q96RI0 2/20 0.40
CHEK2 O96017 1/20 0.39

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 0.90 CHRNB4 (0.56) CHRNB4CHRNA3CHRNA7ALOX5APFEN1
SCHEMBL6584627 0.90 CHRNB4 (0.56) CHRNB4CHRNA3CHRNA7ALOX5APFEN1
SCHEMBL6583242 0.88 CHRNB4 (0.51) CHRNB4CHRNA3CHRNA7ALOX5APFEN1
SCHEMBL6585399 0.87 CHRNB4 (0.66) CHRNB4CHRNA3CHRNA7ALOX5APFEN1
SCHEMBL6585268 0.87 CHRNB4 (0.66) CHRNB4CHRNA3CHRNA7ALOX5APFEN1
SCHEMBL6589354 0.85 CHRNB1 (0.67) CHRNB4CHRNA3ALOX5APFEN1CHRNB1
SCHEMBL6584564 0.85 CHRNB1 (0.67) CHRNB4CHRNA3ALOX5APFEN1CHRNB1
SCHEMBL6583880 0.85 CHRNB4 (0.51) CHRNB4CHRNA3CHRNA7ALOX5APFEN1
SCHEMBL6586830 0.85 CHRNB4 (0.50) CHRNB4CHRNA3CHRNA7ALOX5APUCHL1
SCHEMBL6586921 0.85 CHRNB4 (0.50) CHRNB4CHRNA3CHRNA7ALOX5APUCHL1

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-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