SCHEMBL7413684

SCHEMBL7413684

Cc1ccc(OC[C@H]2CCN2)c(F)n1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.48
CHRNB4 P30926 2/20 0.48
CHRNA3 P32297 2/20 0.48
CHRNA5 P30532 1/20 0.48
CHRNA2 Q15822 2/20 0.46
CHRNA4 P43681 2/20 0.46

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
SCHEMBL7409563 1.00 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA5CHRNA2
SCHEMBL7408579 0.86
SCHEMBL7402668 0.85 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA5CHRNA4
SCHEMBL7407732 0.85 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA5CHRNA4
SCHEMBL7406760 0.78 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA5CHRNA4
SCHEMBL8552509 0.77 CHRNB2 (0.57) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1220341 0.77 CHRNB2 (0.57) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1220344 0.77 CHRNB2 (0.57) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12375141 0.77 CHRNB2 (0.57) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7416924 0.76 CHRNB2 (0.37) CHRNB2CHRNA2CHRNA4

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-1047690-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2000-11-02 EP disclosed
WO-1999032480-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1999-07-01 WO disclosed