SCHEMBL7815971

SCHEMBL7815971

Cc1cc(OC[C@H]2CCCN2)cnc1C

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 4/20 0.59
CHRNB4 P30926 2/20 0.59
CHRNB2 P17787 5/20 0.55
CHRNA4 P43681 4/20 0.55
CHRNA5 P30532 1/20 0.52

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
SCHEMBL7823760 1.00 CHRNA3 (0.59) CHRNA3CHRNB4CHRNB2CHRNA4CHRNA5
SCHEMBL7818063 0.90 KDM4E (0.56) CHRNB2CHRNA4
SCHEMBL7414975 0.90 KDM4E (0.56) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL7817714 0.88 KDM4E (0.55) CHRNB2CHRNA4
SCHEMBL7828306 0.87 CHRNA3 (0.54) CHRNA3CHRNB4CHRNB2CHRNA4CHRNA5
SCHEMBL7824093 0.87 CHRNA3 (0.54) CHRNA3CHRNB4CHRNB2CHRNA4CHRNA5
SCHEMBL7825114 0.86 CHRNA3 (0.56) CHRNA3CHRNB4CHRNB2CHRNA4CHRNA5
SCHEMBL7825495 0.86 CHRNA3 (0.61) CHRNA3CHRNB4CHRNB2CHRNA4
SCHEMBL7825928 0.86 CHRNA3 (0.56) CHRNA3CHRNB4CHRNB2CHRNA4CHRNA5
SCHEMBL7827076 0.86 CHRNA3 (0.61) CHRNA3CHRNB4CHRNB2CHRNA4

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 4 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
EP-0846114-A1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 1998-06-10 EP disclosed
WO-1996040682-A1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1996-12-19 WO disclosed