SCHEMBL290075

SCHEMBL290075

CCC(c1ccccc1)c1ccccn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.67
SLC6A4 P31645 6/20 0.67
CHRM2 P08172 6/20 0.67
SCN1A P35498 3/20 0.67
SCN2A Q99250 3/20 0.67
SCN3A Q9NY46 3/20 0.67
SLC6A3 Q01959 5/20 0.59
TSHR P16473 4/20 0.56
ALDH1A1 P00352 3/20 0.56
CYP1A2 P05177 1/20 0.56
KCNH2 Q12809 5/20 0.54
CHRM1 P11229 5/20 0.54
HRH1 P35367 5/20 0.54
HRH3 Q9Y5N1 4/20 0.54
HTR2A P28223 4/20 0.54
ADRA2B P18089 3/20 0.54
CHRM5 P08912 3/20 0.54
CYP2D6 P10635 3/20 0.54
NFKB1 P19838 2/20 0.54
THPO P40225 2/20 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
SCHEMBL17071880 1.00 SLC6A2 (0.67) SLC6A2SLC6A4CHRM2SCN1ASCN2A
Dimethylamine SCHEMBL28881499 0.94 SLC6A2 (0.61) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL8090850 0.91 SLC6A2 (0.57) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL3910230 0.90 TSHR (0.62) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL11736090 0.88 CHRM2 (0.71) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL21911307 0.88 SLC6A2 (0.54) SLC6A2SLC6A4CHRM2SCN1ASCN2A
Dimethylamine SCHEMBL29071782 0.84 CHRM2 (0.66) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL20385529 0.82 SLC6A2 (0.64) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL11744462 0.81 CHRM2 (0.48) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL15214043 0.81 SLC6A2 (0.58) SLC6A2SLC6A4CHRM2SCN1ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493602-B2 Polyurethaner-based binder for producing cores and casting molds using isocyanates containing a uretonimine and/or carbodiimide group, a mold material mixture containing said binder, and a method using said binder ASK CHEMICALS GMBH (DE) 2016-11-15 US claimed
CN-103140524-B For the manufacture of adhesive, mold materials mixture and method for the core of metal casting and the benzene that comprises replacement of mould and naphthalene ASK CHEMICALS GMBH (DE) 2016-05-04 CN claimed
EP-2621974-B1 BINDER CONTAINING SUBSTITUTED BENZENES AND NAPHTHALENES FOR PRODUCING CORES AND MOLDS FOR METAL CASTING, MOLD MATERIAL MIXTURE, AND METHOD ASK CHEMICALS GMBH (DE) 2015-11-18 EP claimed
EP-2640764-B1 BINDER BASED ON POLYURETHANE FOR PRODUCING CORES AND MOULDS USING ISOCYANATES CONTAINING A URETHONIMINE AND/OR CARBODIIMIDE GROUP, A MOULD MATERIAL MIXTURE CONTAINING SAID BINDER, AND A METHOD FOR USING SAID BINDER ASK CHEMICALS GMBH (DE) 2015-03-25 EP claimed
EP-2598550-B1 BINDER SYSTEM BASED ON POLYURETHANE FOR PRODUCING CORES AND CASTING MOLDS USING CYCLIC FORMALDEHYDES, MOLDING MATERIAL MIXTURE, AND METHOD ASK CHEMICALS GMBH (DE) 2014-12-31 EP claimed
US-20140300031-A1 BINDER SYSTEM BASED ON POLYURETHANE FOR PRODUCING CORES AND CASTING MOLDS USING CYCLIC FORMALS, MOLDING MATERIAL MIXTURE, AND METHOD ASK CHEMICALS GMBH (DE) 2014-10-09 US claimed
US-20130299120-A1 BINDER CONTAINING SUBSTITUTED BENZENES AND NAPHTHALENES FOR PRODUCING CORES AND MOLDS FOR METAL CASTING, MOLD MATERIAL MIXTURE, AND METHOD ASK CHEMICALS GMBH (DE) 2013-11-14 US claimed
US-20130248138-A1 POLYURETHANER-BASED BINDER FOR PRODUCING CORES AND CASTING MOLDS USING ISOCYANATES CONTAINING A URETONIMINE AND/OR CARBODIIMIDE GROUP, A MOLD MATERIAL MIXTURE CONTAINING SAID BINDER, AND A METHOD USING SAID BINDER ASK CHEMICALS GMBH (DE) 2013-09-26 US claimed
EP-2640764-A2 BINDER BASED ON POLYURETHANE FOR PRODUCING CORES AND MOULDS USING ISOCYANATES CONTAINING A URETHONIMINE AND/OR CARBODIIMIDE GROUP, A MOULD MATERIAL MIXTURE CONTAINING SAID BINDER, AND A METHOD FOR USING SAID BINDER ASK Chemicals GmbH (DE) 2013-09-25 EP claimed
EP-2621974-A1 BINDER CONTAINING SUBSTITUTED BENZENES AND NAPHTHALENES FOR PRODUCING CORES AND MOLDS FOR METAL CASTING, MOLD MATERIAL MIXTURE, AND METHOD ASK Chemicals GmbH (DE) 2013-08-07 EP claimed
US-6518477-B2 Water pollution control HANFORD NUCLEAR SERVICES, INC. 2003-02-11 US claimed
EP-1074568-B1 Foundry binder systems CAVENAGHI SPA (IT) 2002-10-09 EP claimed
US-20020010381-A1 Simplified integrated immobilization process for the remediation of radioactive waste HANFORD NUCLEAR SERVICES, INC. 2002-01-24 US claimed
WO-2001095342-A1 SIMPLIFIED INTEGRATED IMMOBILIZATION PROCESS FOR THE REMEDIATION OF RADIOACTIVE WASTE HANFORD NUCLEAR SERVICES, INC. (US) 2001-12-13 WO claimed
WO-2001090633-A2 COMPOSITION AND METHODS FOR SHIELDING RADIOACTIVITY UTILIZING POLYMER IMMOBILIZED RADIOACTIVE WASTE HANFORD NUCLEAR SERVICES, INC. (US) 2001-11-29 WO claimed
EP-1074568-A2 Foundry binder systems Cavenaghi SPA (IT) 2001-02-07 EP claimed
EP-0192507-B1 METHOD OF MANUFACTURING A HOLLOW ARTICLE WITH A COMPLEX SHAPE FROM A COMPOSITE MATERIAL AEROSPATIALE Société Nationale Industrielle (FR) 1988-07-27 EP claimed
US-4692479-A BONDING FOUNDRY SHAPES ASHLAND OIL, INC. (US) 1987-09-08 US claimed
EP-0192507-A1 Method of manufacturing a hollow article with a complex shape from a composite material AEROSPATIALE Société Nationale Industrielle (FR) 1986-08-27 EP claimed
US-4045535-A MIXING MOLD; CURING RESMENT INC. (US) 1977-08-30 US claimed