SCHEMBL3789485

SCHEMBL3789485

C=CC(C=C)COc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.42
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
ADRA1A P35348 2/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1B P35368 1/20 0.33
TLR4 O00206 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
HTR2A P28223 2/20 0.32
HTR2C P28335 1/20 0.32
ABCB1 P08183 2/20 0.31
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30

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
SCHEMBL2550157 0.81 ADRA2A (0.54) PNMTADRA2AADRA2BADRA2CNPC1
SCHEMBL21951946 0.77 PNMT (0.50) PNMTNPC1RAB9ADRD2DRD4
SCHEMBL28007582 0.76 PNMT (0.44) PNMTNPC1RAB9ADRD2DRD4
SCHEMBL27895284 0.76 SCN4A (0.52) PNMTHTR7HTR2BHTR2AHTR2C
SCHEMBL28832018 0.76 PNMT (0.52) PNMTNPC1RAB9ADRD2DRD4
SCHEMBL14803713 0.75 PNMT (0.45) PNMTNPC1RAB9ADRD2DRD4
SCHEMBL28066660 0.75 PNMT (0.49) PNMTNPC1RAB9ADRD2DRD4
SCHEMBL895389 0.75 CTSS (0.46) PNMTADRA2AADRA2BADRA2CNPC1
SCHEMBL27878411 0.74 PNMT (0.46) PNMTNPC1RAB9ADRD2DRD4
SCHEMBL28007205 0.74 PNMT (0.42) PNMTNPC1RAB9ADRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9198985-B2 Bimodal star polymer architectures as fluorescent and MRI imaging reagents VANDERBUILT UNIVERSITY (US) 2015-12-01 US disclosed
US-20130029369-A1 BIMODAL STAR POLYMER ARCHITECTURES AS FLUORESCENT AND MRI IMAGING REAGENTS NATIONAL SCIENCE FOUNDATION 2013-01-31 US disclosed
WO-2010135666-A1 BIMODAL STAR POLYMER ARCHITECTURES AS FLUORESCENT AND MRI IMAGING REAGENTS VANDERBILT UNIVERSITY (US) 2010-11-25 WO disclosed