SCHEMBL2218622

SCHEMBL2218622

CCCN(CCC)C1CCc2cccc(OC)c2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.82
DRD3 P35462 3/20 0.82
DRD4 P21917 1/20 0.82
HTR1A P08908 5/20 0.77
HTR1D P28221 3/20 0.77
HTR1B P28222 2/20 0.77
HTR7 P34969 3/20 0.69
CYP1A2 P05177 1/20 0.69
CYP2D6 P10635 1/20 0.69
TSHR P16473 1/20 0.69
HTR2A P28223 1/20 0.69
HTR2C P28335 1/20 0.69
ADRA1A P35348 1/20 0.69
ADRA1B P35368 1/20 0.69
HTR2B P41595 1/20 0.69
HTR5A P47898 1/20 0.69
CHRM2 P08172 1/20 0.68
CHRM1 P11229 1/20 0.68
CHRM3 P20309 1/20 0.68
BLM P54132 1/20 0.67

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
Hydrochloric Acid SCHEMBL9355015 0.99 DRD2 (0.81) DRD2DRD3DRD4HTR1AHTR1D
SCHEMBL8891564 0.95 DRD2 (0.75) DRD2DRD3DRD4HTR1AHTR1D
SCHEMBL8893091 0.95 DRD2 (0.74) DRD2DRD3DRD4HTR1AHTR1D
SCHEMBL9558117 0.91 DRD2 (0.70) DRD2DRD3DRD4HTR1AHTR1D
SCHEMBL2020108 0.91 DRD2 (0.69) DRD2DRD3DRD4HTR1AHTR1D
SCHEMBL11388217 0.90 DRD2 (1.00) DRD2DRD3DRD4HTR1AHTR7
SCHEMBL12640568 0.89 DRD2 (0.67) DRD2DRD3DRD4HTR1AHTR1D
Hydrochloric Acid SCHEMBL9359305 0.89 DRD2 (0.97) DRD2DRD3DRD4HTR1AHTR7
SCHEMBL8925229 0.89 DRD2 (0.67) DRD2DRD3DRD4HTR1AHTR1D
SCHEMBL3732774 0.89 DRD2 (0.85) DRD2DRD3DRD4HTR1AHTR1D

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9668995-B2 Treatment of motor fluctuations MOTAC NEUROSCIENCE LIMITED (GB) 2017-06-06 US claimed
US-20110178178-A1 Treatment of Motor Fluctuations MOTAC NEUROSCIENCE LIMITED (GB) 2011-07-21 US claimed
EP-1339398-B1 TREATMENT OF MOTOR FLUCTUATIONS WITH 5-HYDROXYTRYPTAMINE 1A RECEPTOR ACTIVITY ENHANCING COMPOUNDS MOTAC NEUROSCIENCE LTD (GB) 2008-09-03 EP claimed
US-20040067956-A1 Treatment of motor fluctuations MOTAC NEUROSCIENCE LIMITED (GB) 2004-04-08 US claimed
EP-1339398-A2 TREATMENT OF MOTOR FLUCTUATIONS WITH 5-HYDROXYTRYPTAMINE 1A RECEPTOR ACTIVITY ENHANCING COMPOUNDS Motac Neuroscience Limited (GB) 2003-09-03 EP claimed
US-20020173511-A1 Serotonergic compositions and methods for treatment of mild cognitive impairment WURTMAN RICHARD J (US) 2002-11-21 US claimed
WO-2002038142-A2 SEROTONERGIC COMPOSITIONS AND METHODS FOR TREATMENT OF MILD COGNITIVE IMPAIRMENT MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-05-16 WO claimed
WO-2002036107-A2 TREATMENT OF MOTOR FLUCTUATIONS WITH 5-HYDROXYTRYPTAMINE 1A RECEPTOR ACTIVITY ENHANCING COUMPOUNDS MOTAC NEUROSCIENCE LIMITED (GB) 2002-05-10 WO claimed
US-9668995-B2 Treatment of motor fluctuations MOTAC NEUROSCIENCE LIMITED (GB) 2017-06-06 US disclosed
US-20110178178-A1 Treatment of Motor Fluctuations MOTAC NEUROSCIENCE LIMITED (GB) 2011-07-21 US disclosed
EP-1339398-B1 TREATMENT OF MOTOR FLUCTUATIONS WITH 5-HYDROXYTRYPTAMINE 1A RECEPTOR ACTIVITY ENHANCING COMPOUNDS MOTAC NEUROSCIENCE LTD (GB) 2008-09-03 EP disclosed
US-20040067956-A1 Treatment of motor fluctuations MOTAC NEUROSCIENCE LIMITED (GB) 2004-04-08 US disclosed
EP-1339398-A2 TREATMENT OF MOTOR FLUCTUATIONS WITH 5-HYDROXYTRYPTAMINE 1A RECEPTOR ACTIVITY ENHANCING COMPOUNDS Motac Neuroscience Limited (GB) 2003-09-03 EP disclosed
US-20020173511-A1 Serotonergic compositions and methods for treatment of mild cognitive impairment WURTMAN RICHARD J (US) 2002-11-21 US disclosed
US-5096908-A 5-HT1A agonist ELI LILLY AND COMPANY (US) 1992-03-17 US disclosed
EP-0455510-A2 Use of 5-HT1A receptor agonist compounds for inhibiting gastric acid secretion ELI LILLY AND COMPANY (US) 1991-11-06 EP disclosed
EP-0148440-B1 1,3,4,5-TETRAHYDROBENZO(C,D)INDOLES, PROCESS FOR THEIR PREPARATION AND THEIR USES Troponwerke GmbH & Co. KG (DE) 1988-10-05 EP disclosed
EP-0148440-A1 1,3,4,5-Tetrahydrobenzo(c,d)indoles, process for their preparation and their uses Troponwerke GmbH & Co. KG (DE) 1985-07-17 EP disclosed
WO-1981003491-A1 THERAPEUTICALLY USEFUL TETRALIN DERIVATIVES ASTRA LAEKEMEDEL AB (SE) 1981-12-10 WO disclosed
EP-0041488-A1 Therapeutically useful tetralin derivatives Arvidsson, Folke Lars-Erik (SE) 1981-12-09 EP disclosed