SCHEMBL20201512

SCHEMBL20201512

C[C@@H](NCCCCc1coc(N2CC(=S)NC2=O)c1)c1ccc(F)c(OCC2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DUT P33316 17/20 0.43
ACACB O00763 2/20 0.34

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
SCHEMBL20201510 0.87 DUT (0.44) DUT
SCHEMBL20201998 0.87 DUT (0.43) DUTACACB
SCHEMBL20201511 0.86 DUT (0.43) DUT
SCHEMBL20201917 0.86 DUT (0.42) DUT
SCHEMBL20201607 0.84 DUT (0.41) DUT
SCHEMBL20202004 0.84 DUT (0.43) DUT
SCHEMBL20201629 0.83 DUT (0.46) DUT
SCHEMBL20202005 0.83 DUT (0.43) DUT
SCHEMBL20201627 0.83 DUT (0.44) DUT
SCHEMBL20202003 0.82 DUT (0.43) 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-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed