SCHEMBL2761385

SCHEMBL2761385

Brc1ccc(OCCC2CNCCO2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.43
HTR2A P28223 4/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A3 Q01959 3/20 0.43
HTR2B P41595 2/20 0.43
ADRB2 P07550 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA2C P18825 1/20 0.43
MAOB P27338 2/20 0.41
EPHA2 P29317 1/20 0.40
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
TSHR P16473 1/20 0.39
HRH1 P35367 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR3A P46098 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL7216614 0.87 SLC6A4 (0.44) SLC6A4HTR2ASLC6A2SLC6A3HTR2B
SCHEMBL5116224 0.86 SLC6A4 (0.43) SLC6A4HTR2ASLC6A2SLC6A3HTR2B
SCHEMBL3657046 0.84 SLC6A2 (0.42) SLC6A4HTR2ASLC6A2SLC6A3HTR2B
SCHEMBL7349980 0.83 SLC6A4 (0.41) SLC6A4HTR2ASLC6A2SLC6A3HTR2B
SCHEMBL6941071 0.83 SLC6A4 (0.46) SLC6A4HTR2ASLC6A2SLC6A3HTR2B
SCHEMBL9385927 0.82 MEN1 (0.48) TSHR
SCHEMBL7324975 0.82 HPGD (0.46) SLC6A4HTR2ASLC6A2SLC6A3HTR2B
SCHEMBL28467612 0.80 CHRNB2 (0.40) SLC6A4HTR2ASLC6A2SLC6A3HTR2B
SCHEMBL25304542 0.79 CHEK1 (0.40) SLC6A4HTR2ASLC6A2SLC6A3HTR2B
SCHEMBL11716518 0.78 NR4A1 (0.41) SLC6A4HTR2ASLC6A2SLC6A3HTR2B

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
WO-2010135429-A2 COMPOSITIONS FOR MODULATING A KINASE CASCADE AND METHODS OF USE THEREOF KINEX PHARMACEUTICALS, LLC (US) 2010-11-25 WO disclosed
EP-2155681-A1 PROCESS FOR THE PREPARATION OF COMPOSITIONS FOR MODULATING A KINASE CASCADE AND METHODS OF USE THEREOF Kinex Pharmaceuticals, LLC (US) 2010-02-24 EP disclosed
WO-2008144045-A1 PROCESS FOR THE PREPARATION OF COMPOSITIONS FOR MODULATING A KINASE CASCADE AND METHODS OF USE THEREOF KINEX PHARMACEUTICALS, LLC (US) 2008-11-27 WO disclosed