SCHEMBL8060050

SCHEMBL8060050

CCC(C)(NC(=O)c1cc(Cl)c(N)c(Cl)c1)C(=O)C(Cl)I

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.38
LMNA P02545 3/20 0.38
ADRB2 P07550 2/20 0.38
HTR1A P08908 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRK1 P41145 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 3/20 0.37
CYP3A4 P08684 2/20 0.37
HSD11B1 P28845 5/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
ANO1 Q5XXA6 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
HTT P42858 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
CYP1A2 P05177 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
SCHEMBL8059015 0.90 HSD11B1 (0.37) ADRB1LMNAADRB2HTR1ASLC6A2
SCHEMBL8065571 0.89 HSD11B1 (0.35) ADRB1LMNAADRB2HTR1ASLC6A2
SCHEMBL8065534 0.87 HSD11B1 (0.36) ADRB1LMNAADRB2HTR1ASLC6A2
SCHEMBL8060000 0.87 HSD11B1 (0.36) ADRB1LMNAADRB2HTR1ASLC6A2
SCHEMBL8060065 0.86 HSD11B1 (0.36) ADRB1LMNAADRB2HTR1ASLC6A2
SCHEMBL8065538 0.84 HSD11B1 (0.35) ADRB1LMNAADRB2HTR1ASLC6A2
SCHEMBL7527475 0.80 HSD11B1 (0.38) ADRB1LMNAADRB2HTR1ASLC6A2
SCHEMBL8059007 0.79 HSD11B1 (0.37) ADRB1LMNAADRB2HTR1ASLC6A2
SCHEMBL7161750 0.77 ALDH1A1 (0.34) LMNASLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL7027760 0.77 ALDH1A1 (0.34) LMNASLC6A2SLC6A4SLC6A3KDM4E

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
EP-0816331-B1 Fungicidally active n-acetonylbenzamide compounds ROHM & HAAS (US) 2000-05-24 EP disclosed
US-5929098-A Fungicidically active N-acetonylbenzamide compounds ROHM AND HAAS COMPANY (US) 1999-07-27 US disclosed
EP-0816331-A1 Fungicidally active n-acetonylbenzamide compounds ROHM AND HAAS COMPANY (US) 1998-01-07 EP disclosed