SCHEMBL7828793

SCHEMBL7828793

CNc1cc(OC[C@@H]2CCCN2C)cnc1C

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 11/20 0.62
CHRNA4 P43681 8/20 0.62
CHRNA3 P32297 7/20 0.62
CHRNB4 P30926 6/20 0.62
CHRNB1 P11230 5/20 0.62
CHRNB3 Q05901 5/20 0.62

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
SCHEMBL7825987 1.00 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL7825322 0.92 CHRNA3 (0.53) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL7829372 0.92 CHRNA3 (0.53) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL7824779 0.87 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL7828082 0.87 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL7828572 0.86 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL7826110 0.86 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL7817413 0.82 CHRNB2 (0.64) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL7828063 0.82 CHRNB2 (0.64) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL7827354 0.82 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1

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