SCHEMBL20207641

SCHEMBL20207641

C[C@H](NCCCCCCCN1CC(=O)NC1=O)c1ccc(Cl)c(OCC2CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DUT P33316 13/20 0.55
IDH1 O75874 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
PDE4B Q07343 1/20 0.35
GRM2 Q14416 2/20 0.35
CNR2 P34972 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
SCHEMBL20201978 0.87 DUT (0.49) DUTIDH1PDE4BGRM2
SCHEMBL29387191 0.86 DUT (0.74) DUT
SCHEMBL20351630 0.86 DUT (0.74) DUT
SCHEMBL20188154 0.86 DUT (0.74) DUT
SCHEMBL18374227 0.86 DUT (0.74) DUT
SCHEMBL20201767 0.82 DUT (0.60) DUT
SCHEMBL22751349 0.82 DUT (0.64) DUT
SCHEMBL20202048 0.82 DUT (0.64) DUT
SCHEMBL20207742 0.81 DUT (0.62) DUT
SCHEMBL20201771 0.80 DUT (0.77) 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