SCHEMBL7216166

SCHEMBL7216166

CN1C2C=C(c3ccc4c(c3)OCO4)CC1CCC2

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.49
SLC6A4 P31645 3/20 0.49
SLC6A3 Q01959 3/20 0.49
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SCD5 Q86SK9 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL7210015 0.74 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3HPGDHSD17B10
SCHEMBL7209670 0.73 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KMT2AUSP2
SCHEMBL6574900 0.72 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL7210006 0.71 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3POLBL3MBTL1
Oxalic Acid SCHEMBL7214943 0.71 SLC6A3 (0.54) SLC6A2SLC6A4SLC6A3
SCHEMBL7211602 0.70 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL7214987 0.70 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL2892576 0.70 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3
SCHEMBL2892573 0.70 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3
SCHEMBL6574845 0.69 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3ALDH1A1L3MBTL1

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