SCHEMBL30217488

SCHEMBL30217488

Fc1cc(Cl)ccc1C1COc2c(cccc2-c2ccccc2)O1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.52
ADRA2B P18089 2/20 0.52
ADRA2C P18825 2/20 0.52
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
FFAR1 O14842 6/20 0.38
CYP11B1 P15538 5/20 0.37
CYP11B2 P19099 5/20 0.37
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
LTB4R Q15722 2/20 0.34
LTB4R2 Q9NPC1 2/20 0.34
CYP19A1 P11511 1/20 0.34
AR P10275 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
SCHEMBL28949266 1.00 ADRA2A (0.52) ADRA2AADRA2BADRA2CCHRNB4CHRNA3
SCHEMBL28949267 0.87 ADRA2A (0.40) ADRA2AADRA2BADRA2CCHRNB4CHRNA3
SCHEMBL23980920 0.86 PTGDR2 (0.40) ADRA2AADRA2BADRA2CFFAR1CYP11B1
SCHEMBL30275375 0.86 PTGDR2 (0.40) ADRA2AADRA2BADRA2CFFAR1CYP11B1
SCHEMBL23980921 0.83 LTB4R (0.40) ADRA2AADRA2BADRA2CFFAR1CYP11B1
SCHEMBL30217500 0.83 LTB4R (0.40) ADRA2AADRA2BADRA2CFFAR1CYP11B1
SCHEMBL29924775 0.82 MAPT (0.44) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL23980935 0.81 CYP11B1 (0.39) ADRA2AADRA2BADRA2CFFAR1CYP11B1
SCHEMBL30275367 0.81 CYP11B1 (0.39) ADRA2AADRA2BADRA2CFFAR1CYP11B1
SCHEMBL23980854 0.80 LTB4R (0.39) ADRA2AADRA2BADRA2CCYP11B1CYP11B2

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
CN-115667250-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2023-01-31 CN disclosed