SCHEMBL8440255

SCHEMBL8440255

FC(F)(F)c1cncc(OC[C@H]2CCCN2)c1

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.66
CHRNA3 P32297 2/20 0.66
CHRNB2 P17787 8/20 0.59
CHRNA4 P43681 8/20 0.59
AKT1 P31749 1/20 0.57
LTA4H P09960 1/20 0.56
CHRNA1 P02708 1/20 0.56
CHRNG P07510 1/20 0.56
CHRNB1 P11230 1/20 0.56
CHRND Q07001 1/20 0.56

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
SCHEMBL8435051 1.00 CHRNB4 (0.66) CHRNB4CHRNA3CHRNB2CHRNA4AKT1
Hydrochloric Acid SCHEMBL7455989 0.99 CHRNB4 (0.64) CHRNB4CHRNA3CHRNB2CHRNA4AKT1
Hydrochloric Acid SCHEMBL7411399 0.99 CHRNB4 (0.64) CHRNB4CHRNA3CHRNB2CHRNA4AKT1
SCHEMBL8438398 0.91 CHRNB2 (0.64) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL8437910 0.89 CHRNB2 (0.63) CHRNB2CHRNA4
SCHEMBL14004895 0.87 CHRNB4 (0.70) CHRNB4CHRNA3CHRNB2CHRNA4AKT1
SCHEMBL17676942 0.85 LTA4H (0.63) CHRNB4CHRNA3LTA4H
SCHEMBL12996857 0.85 LTA4H (0.63) CHRNB4CHRNA3LTA4H
SCHEMBL12996852 0.85 LTA4H (0.63) CHRNB4CHRNA3LTA4H
SCHEMBL7409154 0.82 CHRNB4 (0.71) CHRNB4CHRNA3CHRNB2CHRNA4AKT1

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 4 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
US-5914328-A CONTROL DOPAMINE RELEASE, ACTIVATE CHOLINERGIC CHANNELS ABBOTT LABORATORIES (US) 1999-06-22 US disclosed
EP-0846114-A1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 1998-06-10 EP disclosed
WO-1996040682-A1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1996-12-19 WO disclosed