SCHEMBL20207747

SCHEMBL20207747

CC(C)COc1cccc([C@@H](C)NCCCCCCCN2CCC(=O)NC2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUT P33316 9/20 0.44
MAOA P21397 3/20 0.36
MAOB P27338 3/20 0.36
CASR P41180 2/20 0.36
IDH1 O75874 2/20 0.36
TRIM24 O15164 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A2 P23975 1/20 0.36
HRH2 P25021 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HRH1 P35367 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36
HTR5A P47898 1/20 0.36
HTR6 P50406 1/20 0.36

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
SCHEMBL20207750 0.87 DUT (0.40) DUTCASRIDH1HTR1AADRA2B
SCHEMBL20560409 0.86 DUT (0.55) DUT
SCHEMBL18374426 0.86 DUT (0.55) DUT
SCHEMBL20201842 0.81 DUT (0.43) DUTMAOAMAOBTRIM24MEN1
SCHEMBL18377863 0.79 DUT (0.60) DUT
SCHEMBL20188165 0.77 DUT (0.66) DUT
SCHEMBL18374637 0.77 DUT (0.66) DUT
SCHEMBL18374441 0.76 DUT (0.55) DUT
SCHEMBL18374413 0.75 DUT (0.71) DUT
SCHEMBL20560810 0.75 DUT (0.71) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018128720-A1 URACIL CONTAINING COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-07-12 WO disclosed
WO-2018098207-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed