SCHEMBL10078124

SCHEMBL10078124

NCCc1cc(Br)cc(C#Cc2cccc(-c3cc(Br)cc(CCN)c3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.45
MAOB P27338 5/20 0.37
HRH1 P35367 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
ADRA2C P18825 1/20 0.36
HTR7 P34969 1/20 0.35
HTR2A P28223 1/20 0.35
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
PTGES O14684 1/20 0.32
PLAU P00749 1/20 0.32
ASIC3 Q9UHC3 1/20 0.31

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
SCHEMBL85784 0.88 TAAR1 (0.53) TAAR1HTR2ADRD2DRD1PLAU
SCHEMBL92637 0.83 TAAR1 (0.58) TAAR1MAOBHRH1HRH4HTR7
SCHEMBL10198677 0.81 TAAR1 (0.45) TAAR1HTR7HTR2A
SCHEMBL880647 0.80 PTGES (0.32) TAAR1PTGES
SCHEMBL15805926 0.77 TAAR1 (0.42) TAAR1HTR2ADRD2DRD1PLAU
SCHEMBL10119152 0.73 TAAR1 (0.38) TAAR1
SCHEMBL15138969 0.71 TAAR1 (0.53) TAAR1MAOBHTR7HTR2ADRD2
SCHEMBL880646 0.70 L3MBTL1 (0.40) MAOB
SCHEMBL10198719 0.70 TAAR1 (0.38) TAAR1PTGES
SCHEMBL15805947 0.69 HSD17B1 (0.43) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468711-A2 Facially amphiphilic polyaryl and polarylalkynyl polymers and oligomers and uses thereof The Trustees Of The University Of Pennsylvania (US) 2012-06-27 EP disclosed
EP-2433627-A1 Facially amphiphilic polymers and oligomers, compositions thereof, and use thereof in methods of treating cancer The Trustees Of The University Of Pennsylvania (US) 2012-03-28 EP disclosed
WO-2012006315-A2 METHODS OF IMMUNE MODULATION POLYMEDIX, INC. (US) 2012-01-12 WO disclosed
EP-2298074-A2 Facially amphiphilic polymers and oligomers, compositions thereof, and use thereof in methods of treating cancer The Trustees Of The University Of Pennsylvania (US) 2011-03-23 EP disclosed
WO-2008083256-A2 OPHTHALMIC AND OTIC COMPOSITIONS OF FACIALLY AMPHIPHILIC POLYMERS AND OLIGOMERS AND USES THEREOF POLYMEDIX, INC. (US) 2008-07-10 WO disclosed