SCHEMBL20201601

SCHEMBL20201601

C[C@@H](NCCCC/C=C/CN1C(=O)NC(=O)C1(C)C)c1ccc(F)c(OCC2CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DUT P33316 18/20 0.51
PDE4B Q07343 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
SCHEMBL20201763 0.88 DUT (0.51) DUT
SCHEMBL22723241 0.85 DUT (0.70) DUT
SCHEMBL22723243 0.85 DUT (0.70) DUT
SCHEMBL20201577 0.83 DUT (0.50) DUT
SCHEMBL20206793 0.81 DUT (0.47) DUT
SCHEMBL20207031 0.81 DUT (0.47) DUT
SCHEMBL20201858 0.79 DUT (0.47) DUT
SCHEMBL20207648 0.79 DUT (0.47) DUT
SCHEMBL20207817 0.76 DUT (0.48) DUT
SCHEMBL20188097 0.76 DUT (0.49) 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