SCHEMBL8954497

SCHEMBL8954497

CC(N)C(O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.59
HTR2B P41595 2/20 0.59
ADRB1 P08588 1/20 0.59
MIF P14174 1/20 0.59
ADRA1A P35348 1/20 0.59
PNMT P11086 1/20 0.58
HTR2C P28335 1/20 0.56
KDM4E B2RXH2 6/20 0.53
LMNA P02545 4/20 0.53
HIF1A Q16665 3/20 0.53
ADRA2A P08913 1/20 0.53
ADRA2C P18825 1/20 0.53
ALDH1A1 P00352 1/20 0.52
CES2 O00748 1/20 0.50
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
PDE2A O00408 1/20 0.47
RECQL P46063 4/20 0.47
TDP1 Q9NUW8 4/20 0.47
MAPT P10636 3/20 0.47

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
SCHEMBL28620855 0.86 PNMT (0.57) HTR2AHTR2BPNMTHTR2CALDH1A1
SCHEMBL30365820 0.86 PNMT (0.57) HTR2AHTR2BPNMTHTR2CALDH1A1
SCHEMBL20720367 0.83 PNMT (0.58) HTR2AHTR2BPNMTHTR2CCES2
SCHEMBL18765466 0.83 PNMT (0.58) HTR2AHTR2BPNMTHTR2CCES2
SCHEMBL15109750 0.82 HTR2A (0.54) HTR2AHTR2BPNMTHTR2CCES2
SCHEMBL22843426 0.82 HTR2A (0.54) HTR2AHTR2BPNMTHTR2CCES2
SCHEMBL531415 0.82 KDM4E (0.45) HTR2AHTR2BADRB1MIFADRA1A
SCHEMBL1535283 0.82 PNMT (0.61) HTR2AHTR2BPNMTHTR2CCES2
SCHEMBL343403 0.82 PNMT (0.61) HTR2AHTR2BPNMTHTR2CCES2
SCHEMBL40102 0.82 HTR2A (0.58) HTR2AHTR2BPNMTHTR2CCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5556829-A AMIDES, SULFONAMIDES, PHOSPHOAMIDES, AGRICULTURAL USE ZAMBON GROUP S.P.A. (IT) 1996-09-17 US disclosed
EP-0454067-B1 Compositions having herbicidal activity containing N-Alkyl-amides as active ingredient ZAMBON SPA (IT) 1995-09-27 EP disclosed
US-5336664-A Compositions having herbicidal activity containing N-alkyl-amides as active ingredient ZAMBON GROUP S.P.A. (IT) 1994-08-09 US disclosed
EP-0454067-A1 Compositions having herbicidal activity containing N-Alkyl-amides as active ingredient ZAMBON GROUP S.p.A. (IT) 1991-10-30 EP disclosed