SCHEMBL7211581

SCHEMBL7211581

CN1C2C=C(c3cncc(-c4ccc(Oc5ccccc5)cc4)c3)CC1CCC2

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.53
SLC6A4 P31645 3/20 0.53
SLC6A3 Q01959 3/20 0.53
CHRNB2 P17787 7/20 0.46
CHRNB4 P30926 7/20 0.46
CHRNA3 P32297 7/20 0.46
CHRNA7 P36544 4/20 0.46
CHRNA4 P43681 4/20 0.46
CHRNB3 Q05901 4/20 0.41
CHRNA6 Q15825 1/20 0.41
CHRNB1 P11230 3/20 0.40
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37

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
SCHEMBL7214954 0.81 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CHRNB2CHRNB4
SCHEMBL7210045 0.74 SLC6A3 (0.58) SLC6A2SLC6A4SLC6A3
SCHEMBL7209988 0.74 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CHRNB2CHRNB4
SCHEMBL7210016 0.74 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CHRNB2CHRNB4
SCHEMBL7211602 0.74 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CHRNB2CHRNB4
SCHEMBL7214987 0.74 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CHRNB2CHRNB4
SCHEMBL7209977 0.72 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CHRNB2CHRNB4
SCHEMBL13850003 0.72 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CHRNB2CHRNB4
Oxalic Acid SCHEMBL7214943 0.71 SLC6A3 (0.54) SLC6A2SLC6A4SLC6A3
SCHEMBL13850008 0.70 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CHRNB2CHRNB4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984966-A1 9-AZABICYCLO(3.3.1)NON-2-ENE AND NONANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACh RECEPTORS NEUROSEARCH A/S (DK) 2000-03-15 EP claimed
WO-1998054182-A1 9-AZABICYCLO(3.3.1)NON-2-ENE AND NONANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACh RECEPTORS NEUROSEARCH A/S (DK) 1998-12-03 WO claimed
EP-0984966-B1 9-AZABICYCLO(3.3.1)NON-2-ENE AND NONANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACh RECEPTORS NEUROSEARCH AS (DK) 2003-01-29 EP disclosed
US-6392045-B1 9-azobicyclo[3.3.1] non-2-ene derivatives as cholinergic ligands at nicotinic ACH receptors NEUROSEARCH A/S (DK) 2002-05-21 US disclosed
EP-0984966-A1 9-AZABICYCLO(3.3.1)NON-2-ENE AND NONANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACh RECEPTORS NEUROSEARCH A/S (DK) 2000-03-15 EP disclosed
WO-1998054182-A1 9-AZABICYCLO(3.3.1)NON-2-ENE AND NONANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACh RECEPTORS NEUROSEARCH A/S (DK) 1998-12-03 WO disclosed