SCHEMBL8206871

SCHEMBL8206871

CN1C2CCC1CC(c1n[nH]c3ccccc13)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.43
HTR3E A5X5Y0 4/20 0.42
HTR3B O95264 4/20 0.42
HTR3A P46098 4/20 0.42
HTR3D Q70Z44 4/20 0.42
HTR3C Q8WXA8 4/20 0.42
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
CHRM3 P20309 2/20 0.42
SLC6A4 P31645 2/20 0.42
HRH1 P35367 2/20 0.42
HTR2B P41595 2/20 0.42
KCNH2 Q12809 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CHRNA1 P02708 1/20 0.42
CHRNG P07510 1/20 0.42
HTR1A P08908 1/20 0.42

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
SCHEMBL9429430 0.82 USP30 (0.39) HTR2AHTR3ASLC6A4KCNH2CYP3A4
SCHEMBL8210476 0.81 HTR2A (0.43) HTR2AHTR3ACHRM1ADRA2BADRA2C
SCHEMBL3057752 0.79 KDM4E (0.50) HTR2AHTR2BCYP3A4MAPTADRA2A
SCHEMBL1545709 0.79 HTR2A (0.50) HTR2ASLC6A4CYP3A4DRD2DRD1
SCHEMBL8206962 0.77 KCNH2 (0.49) HTR2ASLC6A4KCNH2CYP3A4CHRNA7
SCHEMBL4004747 0.76 RAB9A (0.48) HTR2AHTR2BCYP3A4HTR2C
SCHEMBL15485748 0.76 KDM4E (0.47) HTR2AHTR2BCYP3A4MAPTHTR2C
SCHEMBL9433144 0.75 BCHE (0.39) HTR2AKCNH2CYP2D6HTR1AMAPT
SCHEMBL9020129 0.73 DRD2 (0.47) HTR2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL29869220 0.73 HTR2C (0.50) HTR2AHTR3EHTR3BHTR3AHTR3D

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-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-5334599-A Heteroaryl-8-azabicyclo[3,2,1]octanes as antipsychotic agents, 5-HT3 receptor antagonists and inhibitors of the reuptake of serotonin HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-08-02 US claimed
EP-0498331-B1 N-(aryloxyalkyl)heteroaryl-8-azabicyclo(3.2.1)octanes, intermediates and a process for the preparation thereof and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1996-05-22 EP disclosed
US-5340936-A Antipsychotic agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-08-23 US disclosed
US-5334599-A Heteroaryl-8-azabicyclo[3,2,1]octanes as antipsychotic agents, 5-HT3 receptor antagonists and inhibitors of the reuptake of serotonin HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-08-02 US disclosed
US-5234931-A Anxiolytic agents; antdepressants; schizophrenia; drug abuse; medical diagnosis HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-08-10 US disclosed
EP-0498331-A1 N-(aryloxyalkyl)heteroaryl-8-azabicyclo(3.2.1)octanes, intermediates and a process for the preparation thereof and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-08-12 EP disclosed