SCHEMBL8436402

SCHEMBL8436402

Clc1ncccc1OC[C@@H]1CCCN1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.72
CHRNA4 P43681 3/20 0.72
CHRNA3 P32297 3/20 0.67
CHRNB4 P30926 2/20 0.67

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
Hydrochloric Acid SCHEMBL8435757 0.99 CHRNB2 (0.71) CHRNB2CHRNA4CHRNA3CHRNB4
Hydrochloric Acid SCHEMBL7464295 0.99 CHRNB2 (0.71) CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL7408268 0.90 CHRNB2 (0.60) CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL28209799 0.90 CHRNB2 (0.60) CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL905204 0.90 CHRNB2 (0.60) CHRNB2CHRNA4CHRNA3CHRNB4
Hydrochloric Acid SCHEMBL7408492 0.88 CHRNB2 (0.63) CHRNB2CHRNA4CHRNA3CHRNB4
Pozanicline SCHEMBL194037 0.84 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB4
Pozanicline SCHEMBL29378392 0.84 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB4
Pozanicline SCHEMBL1538473 0.84 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB4
Pozanicline SCHEMBL7367252 0.84 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB4

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
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