SCHEMBL20204868

SCHEMBL20204868

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.40
FABP4 P15090 3/20 0.35
HTR2C P28335 4/20 0.33
PDE4D Q08499 1/20 0.33
CHUK O15111 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ACACB O00763 1/20 0.32
HTR2B P41595 3/20 0.31
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
HTR3A P46098 1/20 0.31
HTR6 P50406 1/20 0.31
HTR4 Q13639 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
RIPK1 Q13546 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL20207781 1.00 ADRA1A (0.40) ADRA1AFABP4HTR2CPDE4DCHUK
SCHEMBL20201600 0.92 FABP4 (0.36) ADRA1AFABP4HTR2CPDE4DCHUK
SCHEMBL20204881 0.82 ALOX5AP (0.35) ADRA1AHTR2CACACBHTR2BHTR2A
SCHEMBL21324913 0.82 ADRA1A (0.38) ADRA1AFABP4HTR2CPDE4DCHUK
SCHEMBL20206774 0.82 ADRA1A (0.38) ADRA1AFABP4HTR2CPDE4DCHUK
SCHEMBL21324931 0.82 ADRA1A (0.38) ADRA1AFABP4HTR2CPDE4DCHUK
SCHEMBL20201595 0.79 ADRA1A (0.35) ADRA1AFABP4CHUK
SCHEMBL21324914 0.77 FABP4 (0.37) ADRA1AFABP4HTR2CPDE4DCHUK
SCHEMBL21324930 0.77 FABP4 (0.35) ADRA1AFABP4ACACBALOX5APFEN1
SCHEMBL21533824 0.77 FABP4 (0.37) ADRA1AFABP4HTR2CPDE4DCHUK

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-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
WO-2018098209-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed