SCHEMBL20206774

SCHEMBL20206774

CC(C)[C@H]1CCc2c1ccc(Cl)c2OCC1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.38
ACACB O00763 1/20 0.35
FABP4 P15090 3/20 0.34
APP P05067 1/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
HTR3A P46098 1/20 0.32
HTR6 P50406 1/20 0.32
HTR4 Q13639 1/20 0.32
PDE4D Q08499 1/20 0.31
CHUK O15111 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
SLC6A4 P31645 2/20 0.31

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
SCHEMBL21324930 0.92 FABP4 (0.35) ADRA1AACACBFABP4APPALOX5AP
SCHEMBL20201618 0.84 ALOX5AP (0.36) ACACBHTR2CHTR7HTR2BHTR3A
SCHEMBL20204868 0.82 ADRA1A (0.40) ADRA1AACACBFABP4HTR1AHTR1D
SCHEMBL20207781 0.82 ADRA1A (0.40) ADRA1AACACBFABP4HTR1AHTR1D
SCHEMBL21324931 0.78 ADRA1A (0.38) ADRA1AFABP4HTR2CHTR2BPDE4D
SCHEMBL21324913 0.78 ADRA1A (0.38) ADRA1AFABP4HTR2CHTR2BPDE4D
SCHEMBL20201600 0.77 FABP4 (0.36) ADRA1AACACBFABP4HTR2CPDE4D
SCHEMBL21533978 0.76 FEN1 (0.37) ACACBALOX5APFEN1
SCHEMBL20207782 0.76 APP (0.33) FABP4APPHTR2CHTR2BPDE4D
SCHEMBL20201595 0.76 ADRA1A (0.35) ADRA1AFABP4CHUK

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-2018098204-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed