SCHEMBL7472472

SCHEMBL7472472

Cc1cc(/C=C2/CCCN(C)C2)on1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.48
CHRNA3 P32297 7/20 0.48
CHRNB4 P30926 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL7472477 1.00 CHRNB2 (0.48) CHRNB2CHRNA3CHRNB4CHRNA7CHRNA4
Oxalic Acid SCHEMBL7994348 0.92 CHRNB2 (0.44) CHRNB2CHRNA3
Oxalic Acid SCHEMBL7994351 0.92 CHRNB2 (0.44) CHRNB2CHRNA3
SCHEMBL7423822 0.91 CHRNB2 (0.50) CHRNB2CHRNA3
SCHEMBL7423827 0.91 CHRNB2 (0.50) CHRNB2CHRNA3
Oxalic Acid SCHEMBL7423054 0.83 CHRNB2 (0.44) CHRNB2CHRNA3
Oxalic Acid SCHEMBL7414834 0.83 CHRNB2 (0.44) CHRNB2CHRNA3
SCHEMBL7994340 0.81 CHRNB2 (0.49) CHRNB2CHRNA3
Oxalic Acid SCHEMBL8009465 0.74 CHRNB2 (0.43) CHRNB2CHRNA3
SCHEMBL7424304 0.72 CHRNB2 (0.40) CHRNB2CHRNA3

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
US-6022868-A TREATING DISEASES IN THE CENTRAL NERVOUS SYSTEM RELATED TO MALFUNCTIONING OF THE NICOTINIC CHOLINERGIC SYSTEM. NOVO NORDISK ALS (DK) 2000-02-08 US claimed
US-6022868-A TREATING DISEASES IN THE CENTRAL NERVOUS SYSTEM RELATED TO MALFUNCTIONING OF THE NICOTINIC CHOLINERGIC SYSTEM. NOVO NORDISK ALS (DK) 2000-02-08 US disclosed
EP-0842172-A1 NOVEL SUBSTITUTED AZACYCLIC OR AZABICYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-05-20 EP disclosed
WO-1997001556-A1 NOVEL SUBSTITUTED AZACYCLIC OR AZABICYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1997-01-16 WO disclosed