SCHEMBL28866519

SCHEMBL28866519

CC(C)N1CCc2ccccc2C1Br

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRCP P42785 4/20 0.42
CHRNA7 P36544 1/20 0.40
DRD2 P14416 3/20 0.39
ACE P12821 1/20 0.38
XIAP P98170 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
DRD1 P21728 1/20 0.37
MTNR1B P49286 1/20 0.37
CHRM1 P11229 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL12226743 0.82 PRCP (0.45) PRCPCHRNA7DRD2ACETAAR1
SCHEMBL21236187 0.82 PRCP (0.45) PRCPCHRNA7DRD2ACETAAR1
SCHEMBL4737687 0.79 PRCP (0.45) PRCPCHRNA7DRD2ACEXIAP
SCHEMBL22473313 0.77 PRCP (0.64) PRCPDRD1
SCHEMBL8214335 0.77 PRCP (0.64) PRCPDRD1
SCHEMBL22230749 0.75 MTNR1B (0.52) ACEXIAPMTNR1B
SCHEMBL30958735 0.75 MTNR1B (0.52) ACEXIAPMTNR1B
SCHEMBL21236147 0.72 DRD1 (0.45) PRCPCHRNA7ACEXIAPDRD1
SCHEMBL17658844 0.69 DRD2 (0.42) PRCPDRD2ACEDRD1DRD3
SCHEMBL22680200 0.68 PRCP (0.42) PRCPCHRNA7ACEDRD1MTNR1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113454086-B Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR7 agonists 百济神州有限公司 2025-03-14 CN disclosed
CN-108883122-A C-glycoside compounds useful for the treatment of diseases 菲姆布里昂医疗公司 2018-11-23 CN disclosed