SCHEMBL6583880

SCHEMBL6583880

CC(C)(C)OC(=O)N1CCC[C@@H]1COc1cnc(Cl)c(-c2cncnc2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 5/20 0.51
CHRNA3 P32297 5/20 0.51
CHRNA7 P36544 1/20 0.51
CHRNB2 P17787 4/20 0.45
CHRNB1 P11230 3/20 0.45
CHRNB3 Q05901 3/20 0.45
ALOX5AP P20292 3/20 0.44
FEN1 P39748 1/20 0.44
GPR119 Q8TDV5 2/20 0.42
CHRNA4 P43681 1/20 0.40

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
SCHEMBL7669886 0.94 CHRNB4 (0.46) CHRNB4CHRNA3CHRNA7CHRNB2CHRNB1
SCHEMBL6583242 0.90 CHRNB4 (0.51) CHRNB4CHRNA3CHRNA7CHRNB2CHRNB1
SCHEMBL6584627 0.89 CHRNB4 (0.56) CHRNB4CHRNA3CHRNA7CHRNB2CHRNB1
SCHEMBL6585268 0.89 CHRNB4 (0.66) CHRNB4CHRNA3CHRNA7CHRNB2CHRNB1
SCHEMBL6585399 0.89 CHRNB4 (0.66) CHRNB4CHRNA3CHRNA7CHRNB2CHRNB1
SCHEMBL6583117 0.89 CHRNB4 (0.56) CHRNB4CHRNA3CHRNA7CHRNB2CHRNB1
SCHEMBL7672437 0.85 CHRNB2 (0.63) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL7827305 0.85 ALOX5AP (0.47) CHRNB4CHRNA3CHRNA7CHRNB2ALOX5AP
SCHEMBL6620281 0.85 ALOX5AP (0.47) CHRNB4CHRNA3CHRNA7CHRNB2ALOX5AP
SCHEMBL6587032 0.85 CHRNB4 (0.49) CHRNB4CHRNA3CHRNA7CHRNB2CHRNB1

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 2 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