SCHEMBL3765090

SCHEMBL3765090

Cc1ccccc1C[C@@H](N)CCCCCCCN

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
DPP4 P27487 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
CHRM2 P08172 2/20 0.38
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 2/20 0.37
FAP Q12884 1/20 0.37
MMP2 P08253 2/20 0.37
HTR2A P28223 2/20 0.35
HRH1 P35367 1/20 0.35
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SCN4A P35499 1/20 0.33

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
SCHEMBL5324683 0.80 TAAR1 (0.45) TAAR1DPP4DPP7DPP8DPP9
SCHEMBL27725768 0.80 CHRM2 (0.54) TAAR1CHRM2
SCHEMBL7211808 0.78 TAAR1 (0.52) TAAR1DPP4DPP7CHRM2DPP8
SCHEMBL4708624 0.78 TAAR1 (0.52) TAAR1DPP4DPP7CHRM2DPP8
SCHEMBL8629574 0.75 EPHX1 (0.59) TAAR1MMP2SLC6A2SLC6A4
SCHEMBL8639910 0.75 EPHX1 (0.59) TAAR1MMP2SLC6A2SLC6A4
SCHEMBL16429484 0.75 EPHX1 (0.59) TAAR1MMP2SLC6A2SLC6A4
SCHEMBL16429100 0.75 EPHX1 (0.59) TAAR1MMP2SLC6A2SLC6A4
SCHEMBL23420598 0.74 HTR2A (0.50) TAAR1DPP4DPP7DPP8DPP9
SCHEMBL8500978 0.74 TAAR1 (0.69) TAAR1CHRM2HRH1

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