SCHEMBL20204881

SCHEMBL20204881

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.35
FEN1 P39748 3/20 0.35
ADRA1A P35348 1/20 0.33
FFAR1 O14842 2/20 0.32
HTR2C P28335 3/20 0.32
HTR2B P41595 3/20 0.32
HTR2A P28223 2/20 0.32
HTR7 P34969 1/20 0.31
HTR3A P46098 1/20 0.31
HTR4 Q13639 1/20 0.31
RIPK1 Q13546 1/20 0.31
ACACB O00763 1/20 0.31
GRM2 Q14416 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
SCHEMBL20206761 0.92 FEN1 (0.36) ALOX5APFEN1FFAR1HTR2CHTR2B
SCHEMBL20376466 0.92 FEN1 (0.36) ALOX5APFEN1FFAR1HTR2CHTR2B
SCHEMBL20207781 0.82 ADRA1A (0.40) ALOX5APFEN1ADRA1AHTR2CHTR2B
SCHEMBL20204868 0.82 ADRA1A (0.40) ALOX5APFEN1ADRA1AHTR2CHTR2B
SCHEMBL20190174 0.82 S1PR1 (0.39) ALOX5APFEN1HTR2CHTR2BHTR2A
SCHEMBL20201618 0.82 ALOX5AP (0.36) ALOX5APFEN1FFAR1HTR2CHTR2B
SCHEMBL21325347 0.82 RIPK1 (0.34) ALOX5APFEN1ADRA1AFFAR1HTR2C
SCHEMBL21325053 0.82 RIPK1 (0.34) ALOX5APFEN1ADRA1AFFAR1HTR2C
SCHEMBL21533978 0.77 FEN1 (0.37) ALOX5APFEN1FFAR1ACACB
SCHEMBL21325048 0.77 ALOX5AP (0.34) ALOX5APFEN1FFAR1HTR2CHTR2B

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