SCHEMBL7214937

SCHEMBL7214937

CN1C2C=C(c3ncccc3-c3ccccc3)CC1CCC2

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.60
SLC6A4 P31645 6/20 0.60
SLC6A3 Q01959 6/20 0.60
ALDH1A1 P00352 2/20 0.40
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNA6 Q15825 1/20 0.35
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
ABL2 P42684 1/20 0.33
MGLL Q99685 1/20 0.33

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
SCHEMBL7214992 0.81 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL7211577 0.80 SLC6A4 (0.40) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL7210324 0.76 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL7209988 0.76 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA6
SCHEMBL7210016 0.76 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA6
SCHEMBL5830166 0.74 SLC6A4 (0.59) SLC6A2SLC6A4SLC6A3CHRNB2
SCHEMBL6502978 0.74 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL6499524 0.72 SLC6A4 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL7806031 0.72 SLC6A4 (0.80) SLC6A2SLC6A4SLC6A3
SCHEMBL7214954 0.71 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA6

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