SCHEMBL7817031

SCHEMBL7817031

CN1CCC[C@@H]1COc1cnc(Cl)c(Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 6/20 0.72
CHRNA3 P32297 6/20 0.72
CHRNA7 P36544 1/20 0.72
CHRNB2 P17787 6/20 0.66
CHRNB1 P11230 4/20 0.66
CHRNB3 Q05901 4/20 0.66
CHRNA4 P43681 4/20 0.66

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
SCHEMBL7826052 1.00 CHRNB4 (0.72) CHRNB4CHRNA3CHRNA7CHRNB2CHRNB1
Hydrochloric Acid SCHEMBL7452766 0.99 CHRNB4 (0.71) CHRNB4CHRNA3CHRNA7CHRNB2CHRNB1
Hydrochloric Acid SCHEMBL7816209 0.99 CHRNB4 (0.71) CHRNB4CHRNA3CHRNA7CHRNB2CHRNB1
Hydrochloric Acid SCHEMBL7823806 0.99 CHRNB4 (0.71) CHRNB4CHRNA3CHRNA7CHRNB2CHRNB1
SCHEMBL7413944 0.92 CHRNA3 (0.64) CHRNB4CHRNA3CHRNA7CHRNB2CHRNB1
SCHEMBL7410468 0.92 CHRNA3 (0.64) CHRNB4CHRNA3CHRNA7CHRNB2CHRNB1
Hydrochloric Acid SCHEMBL7827784 0.90 CHRNA3 (0.63) CHRNB4CHRNA3CHRNA7CHRNB2CHRNB1
Hydrochloric Acid SCHEMBL7827655 0.90 CHRNA3 (0.63) CHRNB4CHRNA3CHRNA7CHRNB2CHRNB1
SCHEMBL7827114 0.88 CHRNB4 (0.67) CHRNB4CHRNA3CHRNA7CHRNB2CHRNB1
SCHEMBL7825587 0.88 CHRNB4 (0.67) CHRNB4CHRNA3CHRNA7CHRNB2CHRNB1

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-B1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LAB (US) 2001-12-05 EP claimed
EP-0846114-B1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LAB (US) 2001-12-05 EP disclosed