SCHEMBL6583734

SCHEMBL6583734

O=C(c1ccc2ccccc2c1)c1cc(OC[C@H]2CCCN2)cnc1Cl

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 3/20 0.49
CHRNB4 P30926 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46

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
SCHEMBL6583928 0.82 CHRNB2 (0.44) CHRNA3CHRNB4CHRNB2CHRNA4
SCHEMBL6584275 0.82 CHRNB2 (0.51) CHRNA3CHRNB4CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL6587992 0.81 CHRNB2 (0.50) CHRNA3CHRNB4CHRNB2CHRNA4
SCHEMBL6582989 0.80 CHRNA3 (0.47) CHRNA3CHRNB4CHRNB2CHRNA4
SCHEMBL7823526 0.80 CHRNA3 (0.55) CHRNA3CHRNB4CHRNB2CHRNA4
SCHEMBL7817209 0.80 CHRNA3 (0.55) CHRNA3CHRNB4CHRNB2CHRNA4
SCHEMBL7676551 0.80 CHRNA3 (0.55) CHRNA3CHRNB4CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL6588323 0.79 CHRNA3 (0.54) CHRNA3CHRNB4CHRNB2CHRNA4
SCHEMBL6582886 0.73 CHRNA3 (0.58) CHRNA3CHRNB4CHRNB2CHRNA4
SCHEMBL6586539 0.73 CHRNA3 (0.58) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934308-B1 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LAB (US) 2004-08-11 EP claimed
US-6127386-A STIMULANTS, NEUROTRANSMITTERS, CHOLINERGIC AGENTS ABBOTT LABORATORIES (US) 2000-10-03 US claimed
EP-0934308-B1 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LAB (US) 2004-08-11 EP disclosed
US-6127386-A STIMULANTS, NEUROTRANSMITTERS, CHOLINERGIC AGENTS ABBOTT LABORATORIES (US) 2000-10-03 US disclosed
EP-0934308-A1 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 1999-08-11 EP disclosed
WO-1997046554-A1 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1997-12-11 WO disclosed
US-5629325-A TREATMENT OF NERVOUS SYSTEM DISORDERS; NEURONAL NICOTINIC CHOLINERGIC COMPOUNDS ABBOTT LABORATORIES (US) 1997-05-13 US disclosed