SCHEMBL5407261

SCHEMBL5407261

CC(Cc1ccccn1)Nc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 1/20 0.41
PIP4K2C Q8TBX8 4/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
FDPS P14324 1/20 0.40
PTPRA P18433 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
LMNA P02545 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ALOX15 P16050 1/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38

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 SCHEMBL813563 0.81 MAPT (0.45) ALDH1A1CYP1A2CYP2C19PIP4K2CHRH3
Bromide SCHEMBL812947 0.80 MAPT (0.44) ALDH1A1CYP1A2CYP2C19PIP4K2CHRH3
SCHEMBL7650452 0.78 PIP4K2C (0.54) ALDH1A1CYP1A2CYP2C19PIP4K2CMAPT
SCHEMBL13188544 0.75 TAAR1 (0.52) ALDH1A1CYP1A2CYP2C19GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL11524829 0.74 TAAR1 (0.53) ALDH1A1CYP1A2CYP2C19GRIN2DGRIN3B
SCHEMBL17620907 0.73 EGFR (0.42) CYP1A2LMNATSHR
SCHEMBL15494164 0.73 SMN1; SMN2 (0.46) ALDH1A1CYP1A2LMNAALOX15TSHR
SCHEMBL28332558 0.72 TAAR1 (0.53) ALDH1A1CYP1A2CYP2C19PIP4K2CHRH3
SCHEMBL5840008 0.72 SLC40A1 (0.39) PIP4K2CLMNASMN1; SMN2ACHE
SCHEMBL2352782 0.70 GRIN2D (0.55) ALDH1A1CYP1A2CYP2C19GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050170950-A1 Mixed catalyst compositions for the production of polyolefins W. R. GRACE & CO.-CONN. 2005-08-04 US claimed
EP-1504042-A2 MIXED CATALYST COMPOSITIONS FOR THE PRODUCTION OF POLYOLEFINS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2005-02-09 EP claimed
WO-2003095508-A2 MIXED CATALYST COMPOSITIONS FOR THE PRODUCTION OF POLYOLEFINS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2003-11-20 WO claimed
EP-1242476-B1 START UP METHODS FOR MULTIPLE CATALYST SYSTEMS UNIVATION TECH LLC (US) 2007-05-02 EP disclosed
US-7166553-B2 Mixed catalyst compositions for the production of polyolefins UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2007-01-23 US disclosed
US-6927263-B2 Catalyst precursor and olefin polymerization processes UNIVATION TECHNOLOGIES, LLC (US) 2005-08-09 US disclosed
US-20050170950-A1 Mixed catalyst compositions for the production of polyolefins W. R. GRACE & CO.-CONN. 2005-08-04 US disclosed
EP-1504042-A2 MIXED CATALYST COMPOSITIONS FOR THE PRODUCTION OF POLYOLEFINS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2005-02-09 EP disclosed
EP-1244718-B1 SOLUTION FEED OF MULTIPLE CATALYSTS UNIVATION TECH LLC (US) 2004-07-07 EP disclosed
US-20040039140-A1 Catalyst precursor and olefin polymerization processes PETERSON THOMAS H (US) 2004-02-26 US disclosed
US-6653417-B2 Catalyst precursor and olefin polymerization processes UNIVATION TECHNOLOGIES, LLC 2003-11-25 US disclosed
US-6399722-B1 PLASMA POLYMERIZATION OF OLEFINS UNIVATION TECHNOLOGIES, LLC 2002-06-04 US disclosed
US-6340730-B1 CATALYTIC OLEFIN POLYMERIZATION USING METALLOCENE METAL CATALYSTS UNIVATION TECHNOLOGIES, LLC 2002-01-22 US disclosed
US-6320002-B1 PRODUCT OF THE COMBINATION OF AN ACTIVATOR AND A TRANSITION METAL COMPOUND, ESPECIALLY ((1-(2-PYRIDYL)N-1-METHYLETHYL)-(1-N-2,6-DIISOPROPYLPHENYL AMIDO))(2-METHYL-1-PHENYL-2-PROPOXY)ZIRCONIUM DIBENZYL. UNIVATION TECHNOLOGIES, LLC 2001-11-20 US disclosed
US-6320005-B1 CYCLIC HETEROATOM-CONTAINING CATALYST PRECURSOR COMPLEXES OF GROUP 3 TO 6 ELEMENTS AND LANTHANIDES; E.G., (N-(2-PYRIDYL)(BENZYL)METHYL(N-2,6-DIISOPROPYLPHENYL)AMINO)ZIR CONIUM TRIBENZYL UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION 2001-11-20 US disclosed
US-20010031697-A1 Olefin polymerization catalyst system EXXONMOBIL CHEMICAL PATENTS INC. 2001-10-18 US disclosed
US-6303719-B1 TRANSITION METAL COMPOUNDS COMPRISING BIDENTATE LIGANDS CONTAINING PYRIDINE OR QUINOLINE MOIETIES COMBINED WITH ACTIVATORS AND AN OXO ADDITIVE. UNIVATION TECHNOLOGIES 2001-10-16 US disclosed
US-6268447-B1 POLYMERIZATION CATALYSTS FOR OLEFINS AND TRANSITION METAL COMPOUNDS UNIVATION TECHNOLOGIES, L.L.C. 2001-07-31 US disclosed
US-6265513-B1 POLYETHYLENE UNIVATION TECHNOLOGIES, LLC 2001-07-24 US disclosed
US-6103657-A Catalyst for the production of olefin polymers UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2000-08-15 US disclosed