SCHEMBL7414448

SCHEMBL7414448

CC(=O)Nc1cc(OC[C@H]2CCCN2)cnc1F

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 5/20 0.51
CHRNB4 P30926 2/20 0.51
CHRNB2 P17787 5/20 0.48
CHRNA4 P43681 5/20 0.48
CHRNB3 Q05901 1/20 0.44
CHRNA6 Q15825 1/20 0.44
CHRNA1 P02708 1/20 0.44
CHRNG P07510 1/20 0.44
CHRNB1 P11230 1/20 0.44
CHRND Q07001 1/20 0.44

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
SCHEMBL7824109 1.00 CHRNA3 (0.51) CHRNA3CHRNB4CHRNB2CHRNA4CHRNB3
SCHEMBL7409993 0.92
SCHEMBL7415445 0.92
SCHEMBL7817429 0.87 CHRNA3 (0.52) CHRNA3CHRNB4CHRNB2CHRNA4
SCHEMBL7408464 0.87 CHRNA3 (0.52) CHRNA3CHRNB4CHRNB2CHRNA4
SCHEMBL7824953 0.83 CHRNB2 (0.55) CHRNA3CHRNB4CHRNB2CHRNA4CHRNA1
SCHEMBL7827369 0.83 CHRNB2 (0.55) CHRNA3CHRNB4CHRNB2CHRNA4CHRNA1
SCHEMBL7826097 0.79 CHRNA3 (0.57) CHRNA3CHRNB4CHRNB2CHRNA4
SCHEMBL7460096 0.79 CHRNA3 (0.57) CHRNA3CHRNB4CHRNB2CHRNA4
SCHEMBL7825928 0.78 CHRNA3 (0.56) CHRNA3CHRNB4CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0846114-B1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LAB (US) 2001-12-05 EP claimed
EP-1047690-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2000-11-02 EP claimed
WO-1999032480-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1999-07-01 WO claimed
EP-0846114-A1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 1998-06-10 EP claimed
WO-1996040682-A1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1996-12-19 WO claimed
EP-0846114-B1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LAB (US) 2001-12-05 EP disclosed