SCHEMBL20207582

SCHEMBL20207582

CC(C)COc1cc(C(C)(C)NCCCCCCCN2CC(=O)NC2=O)ccc1F

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DUT P33316 16/20 0.61
SCN8A Q9UQD0 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
TRPV1 Q8NER1 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
SCHEMBL20201709 0.87 DUT (0.58) DUT
SCHEMBL18374314 0.86 DUT (0.78) DUT
SCHEMBL20207690 0.81 DUT (0.56) DUTCYP4F2CYP4A11
SCHEMBL20201497 0.81 DUT (0.53) DUTCYP4F2CYP4A11
SCHEMBL20190249 0.80 DUT (0.59) DUT
SCHEMBL22751554 0.79 DUT (0.83) DUT
SCHEMBL21691007 0.78 DUT (0.66) DUT
SCHEMBL18374305 0.76 DUT (1.00) DUT
SCHEMBL18374297 0.75 DUT (0.77) DUT
SCHEMBL20207749 0.75 DUT (0.65) DUT

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-2018098207-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed