SCHEMBL20207750

SCHEMBL20207750

CC(C)COc1cccc([C@@H](C)NCCCC/C=C/CN2CCC(=O)NC2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUT P33316 12/20 0.40
IDH1 O75874 2/20 0.35
CASR P41180 2/20 0.34
HTR1A P08908 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A2 P23975 1/20 0.33
HRH2 P25021 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HRH1 P35367 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR2B P41595 1/20 0.33
HTR5A P47898 1/20 0.33
HTR6 P50406 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
GPR65 Q8IYL9 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL20207747 0.87 DUT (0.44) DUTIDH1CASRHTR1AADRA2B
SCHEMBL20560890 0.84 DUT (0.57) DUT
SCHEMBL18374414 0.84 DUT (0.57) DUT
SCHEMBL20208033 0.83 DUT (0.36) DUTFAAHGAA
SCHEMBL18377861 0.78 DUT (0.66) DUT
SCHEMBL20201577 0.76 DUT (0.50) DUT
SCHEMBL20207688 0.76 DUT (0.52) DUT
SCHEMBL20190297 0.76 DUT (0.58) DUT
SCHEMBL20190296 0.76 DUT (0.58) DUT
SCHEMBL18374632 0.76 DUT (0.58) 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