SCHEMBL29798902

SCHEMBL29798902

COc1cccc(C(F)(F)COCCCCCCNCC(O)c2ccc(O)c(CO)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.58
ADRB1 P08588 14/20 0.58
ADRB3 P13945 13/20 0.58
SLC6A2 P23975 2/20 0.57
HTR2A P28223 2/20 0.57
SLC6A4 P31645 2/20 0.57
ADRA1A P35348 2/20 0.57
SLC6A3 Q01959 2/20 0.57
KDM4E B2RXH2 1/20 0.57
HTR1A P08908 1/20 0.57
CHRM5 P08912 1/20 0.57
DRD2 P14416 1/20 0.57
ADRA2B P18089 1/20 0.57
DRD4 P21917 1/20 0.57
FPR3 P25089 1/20 0.57
ADRA1D P25100 1/20 0.57
HTR1D P28221 1/20 0.57
HTR1B P28222 1/20 0.57
HTR2C P28335 1/20 0.57
GPR183 P32249 1/20 0.57

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
SCHEMBL186254 1.00 ADRB2 (0.58) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL28879233 1.00 ADRB2 (0.58) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL186255 1.00 ADRB2 (0.58) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL5028852 0.90 ADRB2 (0.62) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL523404 0.90 ADRB2 (0.62) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL2010699 0.90 ADRB2 (0.62) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL185382 0.89 ADRB2 (0.69) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL30510394 0.89 ADRB2 (0.69) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL28335500 0.89 ADRB2 (0.69) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL185383 0.89 ADRB2 (0.69) ADRB2ADRB1ADRB3SLC6A2HTR2A

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-110840847-B Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases 沃泰克斯药物股份有限公司 2022-07-29 CN disclosed