SCHEMBL6682774

SCHEMBL6682774

CCC(=NO)c1ccc(F)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
TRPA1 O75762 3/20 0.45
MGLL Q99685 2/20 0.45
RAB9A P51151 1/20 0.37
GABRA1 P14867 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HTT P42858 1/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 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
SCHEMBL6682767 1.00 GAA (0.54) GAAMEN1KMT2ACES2CES1
SCHEMBL21509785 0.82 CES2 (0.47) GAAMEN1KMT2ACES2CES1
SCHEMBL13778625 0.81 GAA (0.47) GAAMEN1KMT2AMGLL
SCHEMBL31114611 0.80 GAA (0.42) GAAMEN1KMT2ACES2CES1
SCHEMBL14383025 0.80 TRPA1 (0.46) GAAMEN1KMT2ACES2CES1
SCHEMBL2777130 0.78 GAA (0.50) GAAMEN1KMT2ACES2CES1
SCHEMBL2777133 0.78 GAA (0.50) GAAMEN1KMT2ACES2CES1
SCHEMBL15164589 0.76 GAA (0.49) GAAMEN1KMT2ACES2CES1
SCHEMBL8802041 0.75 CES2 (0.52) MEN1KMT2ACES2CES1TRPA1
SCHEMBL6179567 0.75 MGLL (0.50) CES2CES1MGLLRAB9AHTT

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
WO-2004064774-A2 DNA ENCODING A HUMAN MELANIN CONCENTRATING HORMONE RECEPTOR (MCH1) AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2004-08-05 WO disclosed