SCHEMBL7409979

SCHEMBL7409979

CN1CC[C@H]1COc1ccc(Cl)nn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRNA3 P32297 2/20 0.62
▸ CHRNB2 P17787 2/20 0.52
▸ CHRNA4 P43681 2/20 0.52
▸ CHRNB1 P11230 1/20 0.52
▸ CHRNB4 P30926 1/20 0.52
▸ CHRNB3 Q05901 1/20 0.52

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
Oxalic Acid SCHEMBL8439350 0.92 CHRNA3 (0.54) CHRNA3CHRNB2CHRNA4CHRNB1CHRNB4
SCHEMBL8435382 0.92 CHRNB1 (0.64) CHRNA3CHRNB2CHRNA4CHRNB1CHRNB4
Fumaric Acid SCHEMBL8437905 0.82 CHRNB2 (0.53) CHRNA3CHRNB2CHRNA4CHRNB1CHRNB4
Fumaric Acid SCHEMBL8437899 0.82 CHRNB2 (0.53) CHRNA3CHRNB2CHRNA4CHRNB1CHRNB4
SCHEMBL7911829 0.77 CHRNA3 (1.00) CHRNA3CHRNB2CHRNA4CHRNB1CHRNB4
SCHEMBL7407318 0.77 CHRNA3 (1.00) CHRNA3CHRNB2CHRNA4CHRNB1CHRNB4
SCHEMBL7911837 0.77 CHRNA3 (1.00) CHRNA3CHRNB2CHRNA4CHRNB1CHRNB4
SCHEMBL410479 0.76 CHRNB2 (0.54) CHRNA3CHRNB2CHRNA4CHRNB4
Hydrochloric Acid SCHEMBL7457251 0.75 CHRNA3 (0.97) CHRNA3CHRNB2CHRNA4CHRNB1CHRNB4
SCHEMBL8437800 0.75 ALOX5AP (0.40) CHRNB2CHRNA4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5914328-A CONTROL DOPAMINE RELEASE, ACTIVATE CHOLINERGIC CHANNELS ABBOTT LABORATORIES (US) 1999-06-22 — — US claimed
EP-1047690-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2000-11-02 — — EP disclosed
US-5948793-A 3-pyridyloxymethyl heterocyclic ether compounds useful in controlling neurotransmitter release ABBOTT LABORATORIES (US) 1999-09-07 — — US disclosed
WO-1999032480-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1999-07-01 — — WO disclosed
US-5914328-A CONTROL DOPAMINE RELEASE, ACTIVATE CHOLINERGIC CHANNELS ABBOTT LABORATORIES (US) 1999-06-22 — — US disclosed
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