SCHEMBL6500396

SCHEMBL6500396

CN1C2C=C(c3cc4ccccc4n3C)CC1CC2

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.54
SLC6A4 P31645 5/20 0.54
SLC6A3 Q01959 5/20 0.54
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
HTR6 P50406 1/20 0.40
ADRA2A P08913 1/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36

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
SCHEMBL8112343 0.80 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL8112340 0.80 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL1021480 0.75 SLC6A3 (0.68) SLC6A2SLC6A4SLC6A3
SCHEMBL1021477 0.75 SLC6A3 (0.68) SLC6A2SLC6A4SLC6A3
SCHEMBL7806031 0.73 SLC6A4 (0.80) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL3423701 0.72 SLC6A3 (0.66) SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL3062717 0.72 SLC6A4 (0.53) SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL8107599 0.72 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL8107601 0.72 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL6498583 0.72 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984965-A1 8-AZABICYCLO(3,2,1)OCT-2-ENE AND OCTANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACH RECEPTORS NEUROSEARCH A/S (DK) 2000-03-15 EP claimed
WO-1998054181-A1 8-AZABICYCLO(3,2,1)OCT-2-ENE AND OCTANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACH RECEPTORS NEUROSEARCH A/S (DK) 1998-12-03 WO claimed
US-6964972-B2 8-Azabicyclo(3,2,1)oct-2 ene and octane derivatives as cholinergic ligands at nicotinic ACh receptors NEUROSEARCH A/S (DK) 2005-11-15 US disclosed