SCHEMBL8438283

SCHEMBL8438283

CN1CCC[C@@H]1COc1ccc(Cl)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 1.00
CHRNA4 P43681 5/20 1.00
CHRNA3 P32297 4/20 1.00
CHRNB1 P11230 3/20 1.00
CHRNB4 P30926 3/20 1.00
CHRNB3 Q05901 3/20 1.00
CHRNA7 P36544 2/20 0.65
CHRNA1 P02708 1/20 0.65

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
SCHEMBL905227 1.00 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB1CHRNB4
Hydrochloric Acid SCHEMBL7455078 0.99 CHRNB2 (0.97) CHRNB2CHRNA4CHRNA3CHRNB1CHRNB4
Hydrochloric Acid SCHEMBL7461082 0.99 CHRNB2 (0.97) CHRNB2CHRNA4CHRNA3CHRNB1CHRNB4
SCHEMBL7911829 0.92 CHRNA3 (1.00) CHRNB2CHRNA4CHRNA3CHRNB1CHRNB4
SCHEMBL7407318 0.92 CHRNA3 (1.00) CHRNB2CHRNA4CHRNA3CHRNB1CHRNB4
SCHEMBL7911837 0.92 CHRNA3 (1.00) CHRNB2CHRNA4CHRNA3CHRNB1CHRNB4
Hydrochloric Acid SCHEMBL7457251 0.90 CHRNA3 (0.97) CHRNB2CHRNA4CHRNA3CHRNB1CHRNB4
SCHEMBL8440105 0.88 CHRNB2 (0.78) CHRNB2CHRNA4CHRNA3CHRNB1CHRNB4
SCHEMBL905222 0.84 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB1CHRNB4
SCHEMBL7365529 0.84 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB1CHRNB4

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
US-5948793-A 3-pyridyloxymethyl heterocyclic ether compounds useful in controlling neurotransmitter release ABBOTT LABORATORIES (US) 1999-09-07 US claimed
US-5948793-A 3-pyridyloxymethyl heterocyclic ether compounds useful in controlling neurotransmitter release ABBOTT LABORATORIES (US) 1999-09-07 US disclosed
US-5914328-A CONTROL DOPAMINE RELEASE, ACTIVATE CHOLINERGIC CHANNELS ABBOTT LABORATORIES (US) 1999-06-22 US disclosed