SCHEMBL820553

SCHEMBL820553

CN(C)Cc1cccc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.77
CYP2C19 P33261 4/20 0.77
CYP1A2 P05177 3/20 0.77
LMNA P02545 6/20 0.64
ALDH1A1 P00352 4/20 0.64
MAPK1 P28482 2/20 0.64
NPY1R P25929 1/20 0.64
NPY2R P49146 1/20 0.64
SLC6A2 P23975 3/20 0.54
SIGMAR1 Q99720 3/20 0.54
NR1I2 O75469 2/20 0.54
HTR2A P28223 2/20 0.54
SLC6A4 P31645 2/20 0.54
KCNH2 Q12809 2/20 0.54
MEN1 O00255 2/20 0.54
TSHR P16473 2/20 0.54
KMT2A Q03164 2/20 0.54
ADRA2A P08913 2/20 0.54
HTT P42858 2/20 0.54
DRD2 P14416 1/20 0.54

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
SCHEMBL31316173 1.00 CYP2D6 (0.77) CYP2D6CYP2C19CYP1A2LMNAALDH1A1
SCHEMBL2142323 0.98 CYP2D6 (0.74) CYP2D6CYP2C19CYP1A2LMNAALDH1A1
Hydrochloric Acid SCHEMBL2278072 0.98 CYP2D6 (0.74) CYP2D6CYP2C19CYP1A2LMNAALDH1A1
Hydrochloric Acid SCHEMBL146079 0.98 CYP2D6 (0.74) CYP2D6CYP2C19CYP1A2LMNAALDH1A1
Hydrochloric Acid SCHEMBL11774931 0.96 CYP2D6 (0.71) CYP2D6CYP2C19CYP1A2LMNAALDH1A1
SCHEMBL10932466 0.87 CYP2D6 (1.00) CYP2D6CYP2C19CYP1A2LMNAALDH1A1
SCHEMBL1977209 0.86 CYP2D6 (0.56) CYP2D6CYP2C19CYP1A2LMNAALDH1A1
SCHEMBL18773886 0.83 CYP2D6 (0.71) CYP2D6CYP2C19CYP1A2LMNAALDH1A1
SCHEMBL13381683 0.83 CYP2D6 (0.76) CYP2D6CYP2C19CYP1A2LMNAALDH1A1
SCHEMBL4818483 0.83 CYP2D6 (0.65) CYP2D6CYP2C19CYP1A2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2848336-B1 METHOD FOR MANUFACTURING HOLLOW METAL NANOPARTICLES LG CHEMICAL LTD (KR) 2017-04-26 EP claimed
EP-1490030-B2 NANOPARTICULATE COMPOSITIONS OF ANGIOGENESIS INHIBITORS ELAN PHARMA INT LTD (IE) 2010-07-14 EP claimed
EP-1471887-B1 NANOPARTICULATE COMPOSITIONS HAVING LYSOZYME AS A SURFACE STABILIZER ELAN PHARMA INT LTD (IE) 2010-04-21 EP claimed
EP-1895984-B1 NANOPARTICULATE IMATINIB MESYLATE FORMULATIONS ELAN PHARMA INT LTD (IE) 2010-03-03 EP claimed
EP-1800666-A1 Nanoparticulate compositions of angiogenesis inhibitors Elan Pharma International Limited (IE) 2007-06-27 EP claimed
EP-1490030-B1 NANOPARTICULATE COMPOSITIONS OF ANGIOGENESIS INHIBITORS ELAN PHARMA INT LTD (IE) 2006-10-25 EP claimed
EP-0396769-B1 AZOXY COMPOUND KOWA CO. LTD. (JP) 1993-03-10 EP claimed
US-5093480-A Fungicides KOWA COMPANY, LTD. (JP) 1992-03-03 US claimed
EP-0396769-A1 AZOXY COMPOUND KOWA CO. LTD. (JP) 1990-11-14 EP claimed
WO-2023114379-A1 PLPRO INHIBITORS HUAHAI US INC. (US) 2023-06-22 WO disclosed
WO-2020065541-A1 MICROEMULSIONS AND METHODS OF USE MOROCCANOIL ISRAEL, LTD. (IL) 2020-04-02 WO disclosed
EP-2817299-B1 SUBSTITUTED CHROMAN COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LTD (IN) 2019-06-12 EP disclosed
US-20190105804-A1 GAS DISPERSION MANUFACTURE OF NANOPARTICULATES, AND NANOPARTICULATE-CONTAINING PRODUCTS AND PROCESSING THEREOF SICPA HOLDING SA (CH) 2019-04-11 US disclosed
US-10201916-B2 Gas dispersion manufacture of nanoparticulates, and nanoparticulate-containing products and processing thereof SICPA HOLDING SA (CH) 2019-02-12 US disclosed
EP-0355575-A2 Method of preventing polymer scale formation Shin-Etsu Chemical Co., Ltd. (JP) 1990-02-28 EP disclosed
US-4560761-A SURFACTANTS, MICROBIOCIDES, HYDRAULIC FLUIDS STANDARD OIL COMPANY (INDIANA) (US) 1985-12-24 US disclosed
US-4526986-A Reacting dimethyl maleic anhydride with bromotrichloro methane in the presence of actinic radiation STANDARD OIL COMPANY (INDIANA) (US) 1985-07-02 US disclosed
US-4032596-A QUATERNARY AMMONIUM SALTS, FREE RADICAL CATALYSTS AIR PRODUCTS AND CHEMICALS, INC. (US) 1977-06-28 US disclosed
US-3988435-A DENTIFRICE LEVER BROTHERS COMPANY (US) 1976-10-26 US disclosed
US-3962527-A Novel polymers and photographic elements containing same EASTMAN KODAK COMPANY (US) 1976-06-08 US disclosed