SCHEMBL8554428

SCHEMBL8554428

CCNc1cc(OC(C)[C@@H]2CCCN2)cnc1Cl

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 2/20 0.34
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 3/20 0.32

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
SCHEMBL8552411 0.87 CHRNB2 (0.34) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL8551874 0.83 CHRNA3 (0.34) CHRNA3SLC6A2SLC6A4SLC6A3
SCHEMBL7408811 0.82 SLC6A2 (0.39) CHRNA3CHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL7405130 0.82 SLC6A2 (0.39) CHRNA3CHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL4961589 0.82 SLC6A2 (0.39) CHRNA3CHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL8550597 0.81 SLC6A2 (0.35) CHRNA3CHRNB2CHRNA4SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL7406975 0.81 CHRNB2 (0.38) CHRNA3CHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL8554864 0.81 SLC6A2 (0.35) CHRNA3CHRNB2CHRNA4SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL7410705 0.81 CHRNB2 (0.38) CHRNA3CHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL7408878 0.80 CHRNB2 (0.37) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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