SCHEMBL20201617

SCHEMBL20201617

C[C@@H](NCCCc1ccnc(CN2CC(=S)NC2=O)n1)c1ccc(F)c(OCC2CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DUT P33316 19/20 0.46
ACACB O00763 1/20 0.33

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
SCHEMBL20201776 0.88 DUT (0.45) DUT
SCHEMBL20201479 0.88 DUT (0.45) DUT
SCHEMBL20201615 0.85 DUT (0.43) DUTACACB
SCHEMBL20201478 0.84 DUT (0.44) DUT
SCHEMBL20201778 0.84 DUT (0.45) DUT
SCHEMBL20201672 0.82 DUT (0.51) DUT
SCHEMBL20201609 0.82 DUT (0.41) DUT
SCHEMBL20201916 0.80 DUT (0.52) DUT
SCHEMBL20201914 0.80 DUT (0.52) DUT
SCHEMBL20201663 0.80 DUT (0.41) 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