SCHEMBL8713304

SCHEMBL8713304

Cc1cccc(CC(C)C(N)C(O)c2cccc(Cl)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.50
SLC2A1 P11166 2/20 0.39
ADRB1 P08588 2/20 0.39
MIF P14174 1/20 0.39
HTR2A P28223 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
ADRB3 P13945 2/20 0.38
LMNA P02545 1/20 0.36
HIF1A Q16665 1/20 0.36
AOC3 Q16853 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36

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
SCHEMBL8713303 1.00 PNMT (0.50) PNMTSLC2A1ADRB1MIFHTR2A
SCHEMBL8717066 0.88 SLC2A1 (0.45) PNMTSLC2A1ADRB1ADRA1ATRPM8
SCHEMBL8717068 0.88 SLC2A1 (0.45) PNMTSLC2A1ADRB1ADRA1ATRPM8
SCHEMBL8713862 0.88 PNMT (0.50) PNMTSLC2A1ADRB1ADRA1ATAAR1
SCHEMBL8713927 0.87 ADRA2A (0.49) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL8713926 0.87 ADRA2A (0.49) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL8713332 0.84 TAAR1 (0.55) PNMTSLC2A1ADRB1TAAR1ADRB3
SCHEMBL8713330 0.84 TAAR1 (0.55) PNMTSLC2A1ADRB1TAAR1ADRB3
SCHEMBL8716169 0.83 SLC2A1 (0.45) PNMTSLC2A1ADRB1ADRA1AADRB3
SCHEMBL8713871 0.83 TAAR1 (0.47) PNMTSLC2A1ADRB1MIFHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed