SCHEMBL5658541

SCHEMBL5658541

CCCN(CCC)[C@H]1CCc2c(F)ccc(O)c2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 1.00
HTR1A P08908 5/20 1.00
CYP1A2 P05177 2/20 1.00
CYP2D6 P10635 2/20 1.00
TSHR P16473 2/20 1.00
PKM P14618 1/20 1.00
ALOX15 P16050 1/20 1.00
MAPK1 P28482 1/20 1.00
LMNA P02545 2/20 0.97
PMP22 Q01453 2/20 0.97
GLA P06280 1/20 0.97
APEX1 P27695 1/20 0.97
KMT2A Q03164 1/20 0.97
FYN P06241 1/20 0.68
DRD3 P35462 6/20 0.61
HTR7 P34969 4/20 0.61
DRD4 P21917 3/20 0.61
DRD1 P21728 2/20 0.61
HTR1D P28221 2/20 0.61
DRD5 P21918 1/20 0.61

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
SCHEMBL7749343 1.00 DRD2 (1.00) DRD2HTR1ACYP1A2CYP2D6TSHR
SCHEMBL29386657 1.00 DRD2 (1.00) DRD2HTR1ACYP1A2CYP2D6TSHR
SCHEMBL5658545 1.00 DRD2 (1.00) DRD2HTR1ACYP1A2CYP2D6TSHR
Bromide SCHEMBL29496166 0.99 DRD2 (0.97) DRD2HTR1ACYP1A2CYP2D6TSHR
Hydrochloric Acid SCHEMBL5962618 0.99 LMNA (1.00) DRD2HTR1ACYP1A2CYP2D6TSHR
Bromide SCHEMBL9064205 0.99 DRD2 (0.97) DRD2HTR1ACYP1A2CYP2D6TSHR
SCHEMBL14283976 0.90 DRD2 (0.81) DRD2HTR1ACYP1A2CYP2D6TSHR
SCHEMBL9862321 0.83 DRD2 (0.71) DRD2HTR1ACYP1A2CYP2D6TSHR
SCHEMBL15657500 0.83 DRD2 (0.71) DRD2HTR1ACYP1A2CYP2D6TSHR
Hydrochloric Acid SCHEMBL9424658 0.82 LMNA (0.72) DRD2HTR1ACYP1A2CYP2D6TSHR

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 77 patents — showing the first 20. 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-0760665-B1 COMPOSITIONS CONTAINING 5HTIA AND 5HTID ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-12-12 EP claimed
EP-0760665-A1 COMPOSITION CONTAINING 5HT IA? and 5HT ID? ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-03-12 EP claimed
WO-1995031988-A1 COMPOSITION CONTAINING 5HTIA and 5HTID ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 1995-11-30 WO claimed
US-20220323456-A1 METHODS FOR TREATING, DIAGNOSING AND PROGNOSING A HAEMATOLOGICAL MALIGNANCY INSTITUT DE RECERCA CONTRA LA LEUCÈMIA JOSEP CARRERAS (ES) 2022-10-13 US disclosed
US-11337984-B2 Methods for treating, diagnosing and prognosing a haematological malignancy INSTITUT DE RECERCA CONTRA LA LEUCÉMIA JOSEP CARRERAS (ES) 2022-05-24 US disclosed
US-20210228593-A1 METHODS FOR TREATING, DIAGNOSING AND PROGNOSING A HAEMATOLOGICAL MALIGNANCY INSTITUT DE RECERCA CONTRA LA LEUCÈMIA JOSEP CARRERAS (ES) 2021-07-29 US disclosed
EP-3160472-B1 METHODS FOR TREATING, DIAGNOSING AND PROGNOSING A HAEMATOLOGICAL MALIGNANCY INST DE RECERCA CONTRA LA LEUCEMIA JOSEP CARRERAS (ES) 2020-03-11 EP disclosed
US-20190343843-A1 METHODS FOR TREATING, DIAGNOSING AND PROGNOSING A HAEMATOLOGICAL MALIGNANCY INSTITUT DE RECERCA CONTRA LA LEUCÈMIA JOSEP CARRERAS (ES) 2019-11-14 US disclosed
US-10195207-B2 Methods for treating, diagnosing and prognosing a haematological malignancy INSTITUT DE RECERCA CONTRA LA LEUCÈMIA JOSEP CARRERAS (ES) 2019-02-05 US disclosed
US-5532264-A POTENTIATION OF VENLAFAXINE, MILNACIPRAN AND DULOXETINE TO INCREASE AVAILABLE SEROTONIN, NOREPINEPHRINE AND DOPAMINE IN THE BRAIN BY ADMINISTERING OXYALKYLAMINE DERIVATIVES ELI LILLY AND COMPANY (US) 1996-07-02 US disclosed
US-5532250-A ADMINISTERING A SEROTONIN 1A RECEPTOR ANTAGONIST: ALPRENOLOL, PINDOLOL, PROPRANOLOL, OR TERTATOLOL, WITH FLUOXETINE, VENLAFAXINE, MILNACIPRAN RO DULOXETINE ELI LILLY AND COMPANY (US) 1996-07-02 US disclosed
EP-0714663-A2 Potentiation of drug response by a serotonin 1A receptor antagonist ELI LILLY AND COMPANY (US) 1996-06-05 EP disclosed
EP-0687472-A2 Potentiation of drug response by a serotonin 1A receptor antagonist ELI LILLY AND COMPANY (US) 1995-12-20 EP disclosed
WO-1995031988-A1 COMPOSITION CONTAINING 5HTIA and 5HTID ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 1995-11-30 WO disclosed
WO-1995024218-A1 SEROTONIN (5-HT1A) RECEPTOR LIGANDS AND IMAGING AGENTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1995-09-14 WO disclosed
EP-0642787-A2 Cessation of tobacco use ELI LILLY AND COMPANY (US) 1995-03-15 EP disclosed