SCHEMBL7828862

SCHEMBL7828862

CN1CCC[C@H]1COc1cnc(F)c(C#N)c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.57
CHRNA3 P32297 5/20 0.57
CHRNA4 P43681 5/20 0.57
CHRNB4 P30926 4/20 0.57
CHRNB1 P11230 3/20 0.57
CHRNB3 Q05901 3/20 0.57

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
SCHEMBL7816651 1.00 CHRNB2 (0.57) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB1
SCHEMBL7816213 0.93 CHRNA3 (0.52) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB1
SCHEMBL7828044 0.93 CHRNA3 (0.52) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB1
SCHEMBL7829093 0.86 CHRNB2 (0.62) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB1
SCHEMBL7817537 0.86 CHRNB2 (0.62) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB1
SCHEMBL7824784 0.85 CHRNA3 (0.64) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB1
SCHEMBL7826044 0.85 CHRNA3 (0.64) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB1
SCHEMBL7827372 0.84 CHRNB2 (0.64) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB1
SCHEMBL7816297 0.84 CHRNB2 (0.64) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB1
SCHEMBL7827071 0.82 CHRNB2 (0.60) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB1

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