SCHEMBL20201788

SCHEMBL20201788

C[C@H](NCCCCCCCN1CC(=O)NC1=O)c1cc(F)cc(OCC2CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DUT P33316 17/20 0.52
RRM1 P23921 1/20 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
SCHEMBL20188617 0.86 DUT (0.69) DUT
SCHEMBL20351419 0.86 DUT (0.69) DUT
SCHEMBL18374082 0.86 DUT (0.69) DUT
SCHEMBL20207823 0.83 DUT (0.51) DUT
SCHEMBL22751394 0.82 DUT (0.65) DUT
SCHEMBL22751390 0.82 DUT (0.65) DUT
SCHEMBL20201652 0.80 DUT (0.48) DUT
SCHEMBL22751172 0.80 DUT (0.63) DUT
SCHEMBL22751173 0.80 DUT (0.63) DUT
SCHEMBL22751180 0.79 DUT (0.79) 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