SCHEMBL7823237

SCHEMBL7823237

COc1cc(OC[C@H]2CCCN2C)cnc1F

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 7/20 0.58
CHRNA3 P32297 7/20 0.58
CHRNB2 P17787 6/20 0.58
CHRNA4 P43681 4/20 0.58
CHRNB1 P11230 4/20 0.58
CHRNB3 Q05901 4/20 0.58

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
SCHEMBL7816045 1.00 CHRNB4 (0.58) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL7829555 0.92 CHRNA3 (0.53) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL7832609 0.92 CHRNA3 (0.53) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL7826072 0.89 CHRNB2 (0.58) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL7817016 0.89 CHRNB2 (0.58) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL7826132 0.86 CHRNB2 (0.65) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL7823839 0.86 CHRNB2 (0.65) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL7827372 0.85 CHRNB2 (0.64) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL7816297 0.85 CHRNB2 (0.64) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL7827071 0.84 CHRNB2 (0.60) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1

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