SCHEMBL20201600

SCHEMBL20201600

C[C@H]1CCCc2c1ccc(Cl)c2OCC1CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.36
ADRA1A P35348 1/20 0.36
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
HTR2C P28335 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRA2 P47869 1/20 0.32
PDE4D Q08499 1/20 0.32
CHUK O15111 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
ACACB O00763 1/20 0.32
HRH2 P25021 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL20204868 0.92 ADRA1A (0.40) FABP4ADRA1AHTR2CPDE4DCHUK
SCHEMBL20207781 0.92 ADRA1A (0.40) FABP4ADRA1AHTR2CPDE4DCHUK
SCHEMBL20206761 0.83 FEN1 (0.36) HCRTR1HCRTR2HTR2CALOX5APFEN1
SCHEMBL20376466 0.83 FEN1 (0.36) HCRTR1HCRTR2HTR2CALOX5APFEN1
SCHEMBL21324930 0.83 FABP4 (0.35) FABP4ADRA1AHCRTR1HCRTR2ALOX5AP
SCHEMBL21324914 0.83 FABP4 (0.37) FABP4ADRA1AHCRTR1HCRTR2HTR2C
SCHEMBL21533824 0.83 FABP4 (0.37) FABP4ADRA1AHCRTR1HCRTR2HTR2C
SCHEMBL22751137 0.79 FABP4 (0.39) FABP4ADRA1AHCRTR1HCRTR2HTR2C
SCHEMBL20206774 0.77 ADRA1A (0.38) FABP4ADRA1AHTR2CPDE4DCHUK
SCHEMBL21324913 0.77 ADRA1A (0.38) FABP4ADRA1AHTR2CPDE4DCHUK

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 3 patents. 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
WO-2018098209-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
WO-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed