SCHEMBL7828572

SCHEMBL7828572

Cc1ncc(OC[C@@H]2CCCN2C)cc1NC=O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.57
CHRNA4 P43681 7/20 0.57
CHRNB4 P30926 6/20 0.57
CHRNA3 P32297 6/20 0.57
CHRNB1 P11230 5/20 0.57
CHRNB3 Q05901 5/20 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
SCHEMBL7826110 1.00 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL7412172 0.93 CHRNA3 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL7408945 0.93 CHRNA3 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL7828793 0.86 CHRNB2 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL7825987 0.86 CHRNB2 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL7828082 0.80 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL7824779 0.80 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL7826029 0.80 CHRNB2 (0.64) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL7826068 0.80 CHRNB2 (0.64) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL7817537 0.79 CHRNB2 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1

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