SCHEMBL20201511

SCHEMBL20201511

C[C@@H](NCCCCc1ncc(N2CC(=S)NC2=O)o1)c1ccc(F)c(OCC2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DUT P33316 19/20 0.43
ROCK2 O75116 1/20 0.32

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
SCHEMBL20202005 0.88 DUT (0.43) DUT
SCHEMBL20201510 0.88 DUT (0.44) DUT
SCHEMBL20201999 0.88 DUT (0.40) DUT
SCHEMBL20202004 0.87 DUT (0.43) DUT
SCHEMBL20201512 0.86 DUT (0.43) DUT
SCHEMBL20201629 0.86 DUT (0.46) DUT
SCHEMBL20201607 0.83 DUT (0.41) DUTROCK2
SCHEMBL20202003 0.83 DUT (0.43) DUT
SCHEMBL20201998 0.83 DUT (0.43) DUT
SCHEMBL20201663 0.82 DUT (0.41) DUTROCK2

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