SCHEMBL20207823

SCHEMBL20207823

C[C@H](NCCCCCCCN1CC(=O)NC1=O)c1cc(OCC2CC2)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DUT P33316 16/20 0.51
ACACB O00763 1/20 0.36
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35

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
SCHEMBL18374243 0.86 DUT (0.68) DUT
SCHEMBL20351400 0.86 DUT (0.68) DUT
SCHEMBL20188388 0.86 DUT (0.68) DUT
SCHEMBL29386565 0.86 DUT (0.68) DUT
SCHEMBL20201788 0.83 DUT (0.52) DUT
SCHEMBL20207819 0.81 ACHE (0.41)
SCHEMBL20201652 0.81 DUT (0.48) DUT
SCHEMBL20207742 0.79 DUT (0.62) DUT
SCHEMBL20201767 0.77 DUT (0.60) DUT
SCHEMBL20201707 0.77 DUT (0.59) 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