SCHEMBL7544079

SCHEMBL7544079

[CH2]CN(C[CH2])CCCCCCCCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.50
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.44
KCNH2 Q12809 3/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
GBA1 P04062 1/20 0.37
PLA2G1B P04054 1/20 0.37
PLA2G2A P14555 1/20 0.37
KDM5A P29375 2/20 0.36
PHF8 Q9UPP1 2/20 0.36
MCHR1 Q99705 1/20 0.36
KDM4C Q9H3R0 1/20 0.36

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
SCHEMBL11502083 1.00 DNM1 (0.50) DNM1TSHRTHRBKCNH2CA12
SCHEMBL11501615 0.97 DNM1 (0.46) DNM1TSHRTHRBKCNH2CA12
SCHEMBL8376140 0.94 DNM1 (0.50) DNM1TSHRTHRBKCNH2CA12
SCHEMBL290988 0.94 DNM1 (0.50) DNM1TSHRTHRBKCNH2CA12
SCHEMBL8374761 0.94 DNM1 (0.50) DNM1TSHRTHRBKCNH2CA12
SCHEMBL8379915 0.94 DNM1 (0.50) DNM1TSHRTHRBKCNH2CA12
SCHEMBL8375294 0.94 DNM1 (0.50) DNM1TSHRTHRBKCNH2CA12
SCHEMBL8375333 0.94 DNM1 (0.50) DNM1TSHRTHRBKCNH2CA12
SCHEMBL3248572 0.94 DNM1 (0.50) DNM1TSHRTHRBKCNH2CA12
SCHEMBL8377129 0.94 DNM1 (0.50) DNM1TSHRTHRBKCNH2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1208268-B1 NOVEL QUATERNARY COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF EVONIK GOLDSCHMIDT CORP (US) 2013-07-10 EP disclosed
US-6458343-B1 Quaternary compounds, compositions containing them, and uses thereof GOLDSCHMIDT CHEMICAL CORPORATION 2002-10-01 US disclosed
EP-1208268-A1 NOVEL QUATERNARY COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF Goldschmidt Chemical Company (US) 2002-05-29 EP disclosed
WO-2001085109-A1 NOVEL QUATERNARY COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF GOLDSCHMIDT CHEMICAL COMPANY (US) 2001-11-15 WO disclosed
WO-2000068502-A1 NOVEL QUATERNARY COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF GOLDSCHMIDT CHEMICAL COMPANY (US) 2000-11-16 WO disclosed
EP-0416321-B1 Crystalline polyolefin composition CHISSO CORP (JP) 1994-11-09 EP disclosed
US-5063264-A Molding materials CHISSO CORPORATION (JP) 1991-11-05 US disclosed
EP-0416321-A1 Crystalline polyolefin composition Chisso Corporation (JP) 1991-03-13 EP disclosed
US-4130715-A Tricyclic trisaminomethanes E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-12-19 US disclosed
US-4085106-A Bicyclic and tricyclic trisaminomethanes E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-04-18 US disclosed
US-4038312-A TRICYCLIC PHOSPHOROUS TRIAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-07-26 US disclosed
US-3996276-A Bicyclic and tricyclic phosphorous triamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-12-07 US disclosed