SCHEMBL3765092

SCHEMBL3765092

CC(c1ccccc1)[C@@H](N)CCCCCCCN

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.50
HTR2A P28223 2/20 0.50
SLC7A5 Q01650 7/20 0.44
TAAR1 Q96RJ0 4/20 0.42
KIF11 P52732 1/20 0.39
MAOA P21397 1/20 0.38
CSNK1E P49674 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37

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
SCHEMBL27565319 0.86 CSNK1E (0.51) HTR2ACSNK1E
SCHEMBL11092760 0.84 HRH1 (0.52) HRH1HTR2ASLC7A5TAAR1KIF11
SCHEMBL11474474 0.84 CSNK1E (0.49) HRH1HTR2ATAAR1CSNK1EADRA2A
SCHEMBL9846073 0.81 POLB (0.45) HRH1HTR2ATAAR1CSNK1EADRA2A
SCHEMBL28004004 0.79 HRH1 (0.55) HRH1HTR2ASLC7A5TAAR1MAOA
SCHEMBL14459040 0.79 TAAR1 (0.57) HRH1HTR2ASLC7A5TAAR1MAOA
SCHEMBL8003693 0.79 HRH1 (0.55) HRH1HTR2ASLC7A5TAAR1MAOA
SCHEMBL26720658 0.77 SLC7A5 (0.50) HRH1HTR2ASLC7A5TAAR1KIF11
SCHEMBL14387157 0.77 TAAR1 (0.59) HRH1HTR2ASLC7A5TAAR1MAOA
SCHEMBL8829324 0.77 HRH1 (0.57) HRH1HTR2ASLC7A5TAAR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851530-B2 High viscosity at low shear; for use as sag control agents in coatings, paints, cosmetics, mining, paper, textile industries; Urea reaction product of isocyanate such as hexamethylene diisocyanate with high enantiomeric excess of optically active methylamines such as alpha-methylbenzylamine NUPLEX RESINS B.V. (NL) 2010-12-14 US disclosed
US-20060289828-A1 Carbon-substituted methyl amine derivatives and their use as a rheology control agents ALLNEX NETHERLANDS B.V. (NL) 2006-12-28 US disclosed