SCHEMBL7211577

SCHEMBL7211577

COc1cccnc1C1=CC2CCCC(C1)N2C

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.40
SLC6A2 P23975 4/20 0.40
SLC6A3 Q01959 4/20 0.40
HTR1A P08908 1/20 0.37
CCNT1 O60563 2/20 0.37
CDK9 P50750 2/20 0.37
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
ALDH1A1 P00352 2/20 0.35
CHRM4 P08173 1/20 0.34

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
SCHEMBL6499524 0.93 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3HTR1ACCNT1
SCHEMBL7214992 0.82 SLC6A2 (0.41) SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL7214937 0.80 SLC6A2 (0.60) SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL6502978 0.74 SLC6A2 (0.49) SLC6A4SLC6A2SLC6A3
SCHEMBL7210324 0.72 SLC6A2 (0.47) SLC6A4SLC6A2SLC6A3HTR1AALDH1A1
SCHEMBL7209988 0.72 SLC6A2 (0.51) SLC6A4SLC6A2SLC6A3CHRNB4CHRNA3
SCHEMBL7210016 0.72 SLC6A2 (0.51) SLC6A4SLC6A2SLC6A3CHRNB4CHRNA3
SCHEMBL6491789 0.71 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3HTR1ACCNT1
SCHEMBL6491784 0.71 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3HTR1ACCNT1
SCHEMBL5829578 0.70 SLC6A2 (0.46) SLC6A4SLC6A2SLC6A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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