SCHEMBL6615093

SCHEMBL6615093

CC(C)(C)OC(=O)N1CCCCC1CCOc1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.58
HCRTR2 O43614 5/20 0.58
CHEK2 O96017 1/20 0.57
KMT2A Q03164 1/20 0.51
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
GPR119 Q8TDV5 3/20 0.46
ALOX5AP P20292 1/20 0.45
FEN1 P39748 1/20 0.45
ABHD6 Q9BV23 1/20 0.44
DAGLA Q9Y4D2 1/20 0.44

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
SCHEMBL7436998 0.95 HCRTR1 (0.54) HCRTR1HCRTR2CHEK2KMT2AHRH2
SCHEMBL4321825 0.89 CHEK2 (0.56) HCRTR1HCRTR2CHEK2HRH2HRH1
SCHEMBL6609250 0.89 CHEK2 (0.56) HCRTR1HCRTR2CHEK2HRH2HRH1
SCHEMBL7399721 0.88 CHEK2 (0.61) HCRTR1HCRTR2CHEK2KMT2AHRH2
SCHEMBL8346932 0.87 CHEK2 (0.56) HCRTR1HCRTR2CHEK2HRH2HRH1
SCHEMBL8346931 0.87 CHEK2 (0.56) HCRTR1HCRTR2CHEK2HRH2HRH1
SCHEMBL4328668 0.85 ALOX5AP (0.50) KMT2AGPR119ALOX5APFEN1ABHD6
SCHEMBL4328662 0.85 ALOX5AP (0.50) KMT2AGPR119ALOX5APFEN1ABHD6
SCHEMBL4312971 0.85 CHEK2 (0.54) HCRTR1HCRTR2CHEK2KMT2A
SCHEMBL7359533 0.85 PRMT5 (0.58) HCRTR1HCRTR2CHEK2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435955-A2 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SmithKline Beecham P.L.C. (GB) 2004-07-14 EP disclosed
WO-2002089800-A2 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-11-14 WO disclosed