SCHEMBL3386360

SCHEMBL3386360

CCCN(CCC)C1CSc2cccc(OCC)c2C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.49
HTR1D P28221 3/20 0.49
HTR1B P28222 2/20 0.49
DRD2 P14416 5/20 0.43
DRD3 P35462 4/20 0.43
DRD4 P21917 1/20 0.43
FYN P06241 1/20 0.41
HTR7 P34969 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
HTR2B P41595 1/20 0.40
HTR5A P47898 1/20 0.40

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 SCHEMBL9787141 0.99 HTR1A (0.48) HTR1AHTR1DHTR1BDRD2DRD3
SCHEMBL9824766 0.91 HTR1A (0.54) HTR1AHTR1DHTR1BDRD2DRD3
Hydrochloric Acid SCHEMBL9787193 0.90 HTR1A (0.53) HTR1AHTR1DHTR1BDRD2DRD3
SCHEMBL9787104 0.88 DRD2 (0.56) HTR1AHTR1DHTR1BDRD2DRD3
Hydrochloric Acid SCHEMBL9787054 0.87 DRD2 (0.55) HTR1AHTR1DHTR1BDRD2DRD3
Hydrochloric Acid SCHEMBL9787185 0.86 HTR1A (0.44) HTR1AHTR1DHTR1BDRD2DRD3
SCHEMBL9306865 0.83 DRD2 (0.51) HTR1AHTR1DHTR1BDRD2DRD3
SCHEMBL8874827 0.81 FYN (0.45) HTR1AHTR1DHTR1BDRD2DRD3
SCHEMBL9787073 0.81 ACHE (0.41)
SCHEMBL9304332 0.80 DRD2 (0.48) HTR1AHTR1DHTR1BDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2983473-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS Mountain Llc (US) 2016-02-17 EP claimed
US-20140350064-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC 2014-11-27 US claimed
WO-2014144130-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC (US) 2014-09-18 WO claimed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US claimed
EP-0222996-B1 3-AMINO-DIHYDRO(1)BENZOPYRANE AND BENZOTHIOPYRANE CIBA-GEIGY AG (CH) 1991-05-22 EP claimed
EP-0222996-A2 3-Amino-dihydro(1)benzopyrane and benzothiopyrane CIBA-GEIGY AG (CH) 1987-05-27 EP claimed
US-20140350064-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC 2014-11-27 US disclosed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US disclosed
WO-2012002583-A1 METHOD FOR TREATING SCHIZOPHRENIA AND RELATED DISEASES WITH A COMBINATION THERAPY VANDERBILT UNIVERSITY (US) 2012-01-05 WO disclosed
EP-0360077-B1 USE OF SEROTONIN ANTAGONISTS IN THE TREATMENT OF APOPLEXIA CEREBRI Troponwerke GmbH & Co. KG (DE) 1993-07-21 EP disclosed
US-5200410-A Serotonin agonist with specific binding strength TROPONWERKE GMBH & CO. (DE) 1993-04-06 US disclosed
US-5155128-A Medicaments for the treatment of cerebral apoplexy TROPONWERKE GMBH & CO. (DE) 1992-10-13 US disclosed
US-5070102-A SEROTONIN AGONISTS TROPONWERKE GMBH & CO. (DE) 1991-12-03 US disclosed
US-4988700-A Antiserotonin agent, aryl or heteroaryl piperazine compounds TROPONWERKE GMBH & CO. (DE) 1991-01-29 US disclosed