SCHEMBL7215838

SCHEMBL7215838

CN1C2C=C(c3cccc([N+](=O)[O-])c3)CC1CCC2

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.55
SLC6A4 P31645 3/20 0.55
SLC6A3 Q01959 3/20 0.55
ACHE P22303 1/20 0.41
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB3 Q05901 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL8536405 0.93 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL8536408 0.93 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL521277 0.77 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3
SCHEMBL7210006 0.76 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3
SCHEMBL7720436 0.74 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL7210016 0.71 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3
SCHEMBL7209988 0.71 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3
Oxalic Acid SCHEMBL7214943 0.71 SLC6A3 (0.54) SLC6A2SLC6A4SLC6A3
SCHEMBL1023137 0.70 SLC6A2 (0.72) SLC6A2SLC6A4SLC6A3
SCHEMBL6492534 0.70 SLC6A2 (0.72) SLC6A2SLC6A4SLC6A3

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