SCHEMBL20207740

SCHEMBL20207740

CC(C)C(NCCCCCCCN1C(=O)c2ccccc2C1=O)c1ccc(F)c(OCC2CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DUT P33316 9/20 0.47
ACHE P22303 8/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL20376628 0.89 DUT (0.43) DUTACHE
SCHEMBL18374264 0.87 DUT (0.60) DUT
SCHEMBL20201674 0.82 DUT (0.52) DUT
SCHEMBL20207742 0.82 DUT (0.62) DUT
SCHEMBL20191015 0.81 DUT (0.69) DUT
SCHEMBL20338535 0.81 DUT (0.69) DUT
SCHEMBL20201677 0.81 DUT (0.51) DUT
SCHEMBL20338536 0.81 DUT (0.69) DUT
SCHEMBL20191013 0.81 DUT (0.69) DUT
SCHEMBL20207866 0.81 DUT (0.47) DUTALDH1A1LMNAMAPTPKM

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