SCHEMBL7828306

SCHEMBL7828306

CNc1cc(OC[C@@H]2CCCN2)cnc1C

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 5/20 0.54
CHRNB4 P30926 3/20 0.54
CHRNB2 P17787 7/20 0.51
CHRNA4 P43681 6/20 0.51
CHRNA1 P02708 1/20 0.49
CHRNG P07510 1/20 0.49
CHRNB1 P11230 1/20 0.49
CHRND Q07001 1/20 0.49
CHRNA5 P30532 1/20 0.48

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
SCHEMBL7824093 1.00 CHRNA3 (0.54) CHRNA3CHRNB4CHRNB2CHRNA4CHRNA1
SCHEMBL7410440 0.91 KDM4E (0.51) CHRNB2CHRNA4
SCHEMBL7411829 0.91 KDM4E (0.51) CHRNB2CHRNA4
SCHEMBL7823760 0.87 CHRNA3 (0.59) CHRNA3CHRNB4CHRNB2CHRNA4CHRNA5
SCHEMBL7815971 0.87 CHRNA3 (0.59) CHRNA3CHRNB4CHRNB2CHRNA4CHRNA5
SCHEMBL7817308 0.85 CHRNA3 (0.50) CHRNA3CHRNB4CHRNB2CHRNA4CHRNA1
SCHEMBL7826690 0.85 CHRNA3 (0.50) CHRNA3CHRNB4CHRNB2CHRNA4CHRNA1
SCHEMBL7415120 0.82 CHRNA3 (0.56) CHRNA3CHRNB4CHRNB2CHRNA4CHRNA5
SCHEMBL7829771 0.82 CHRNA3 (0.56) CHRNA3CHRNB4CHRNB2CHRNA4CHRNA5
SCHEMBL7828976 0.82 CHRNA3 (0.56) CHRNA3CHRNB4CHRNB2CHRNA4CHRNA5

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 1 patent. 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