SCHEMBL7410563

SCHEMBL7410563

CC(C)(C)OC(=O)C(Oc1cncc(Cl)c1)[C@H]1CCN1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.38
CHRNA4 P43681 5/20 0.38
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA2 Q15822 1/20 0.35

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
SCHEMBL7412173 0.88 CHRNB4 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7415277 0.87 CHRNB2 (0.32) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL8585735 0.86 NPC1 (0.37) CHRNB2CHRNA4
SCHEMBL6232619 0.86 NPC1 (0.37) CHRNB2CHRNA4
SCHEMBL8508512 0.84 CHRNB2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7409594 0.83 SLC6A3 (0.32) CHRNB2CHRNA4
SCHEMBL8507157 0.83 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7415100 0.82 CHRNB2 (0.31) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL8507356 0.81 ALDH1A1 (0.33)
SCHEMBL7411066 0.81 ALDH1A1 (0.33)

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