SCHEMBL7209988

SCHEMBL7209988

CN1C2CCC[C@@H]1C=C(c1cccnc1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.51
SLC6A4 P31645 3/20 0.51
SLC6A3 Q01959 3/20 0.51
CHRNB2 P17787 6/20 0.50
CHRNA4 P43681 6/20 0.50
CHRNB4 P30926 4/20 0.48
CHRNA3 P32297 4/20 0.48
CHRNA7 P36544 4/20 0.48
CHRNB3 Q05901 4/20 0.48
CHRNA6 Q15825 4/20 0.48

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
SCHEMBL7210016 1.00 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL13850003 0.97 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL6489924 0.92 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL7214954 0.91 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL7210337 0.83 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7211602 0.83 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL7214987 0.83 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL7210011 0.78 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7211587 0.78 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7211595 0.77 GPR119 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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
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