SCHEMBL22953003

SCHEMBL22953003

COc1cc(C2Cc3c(cc(Br)c(O)c3O)C3CNCCC23)ccn1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.45
DRD2 P14416 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
DRD1 P21728 1/20 0.45
DRD5 P21918 1/20 0.45
DRD3 P35462 1/20 0.45
HTR2C P28335 4/20 0.34
HTR2A P28223 3/20 0.34
TLR9 Q9NR96 2/20 0.31
TLR8 Q9NR97 2/20 0.31
TLR7 Q9NYK1 2/20 0.31

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
SCHEMBL22952999 0.88 ADRA2A (0.45) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL22953004 0.88 ADRA2A (0.45) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL22952936 0.86 DRD1 (0.63) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL22952992 0.78 DRD1 (0.65) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL22953002 0.73 ADRA2A (0.65) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL22952994 0.73 ADRA2A (0.65) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL22952932 0.73 ADRA2A (0.68) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL22952935 0.72 DRD1 (0.54) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL22952996 0.71 DRD1 (0.65) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL22952995 0.71 DRD1 (0.43) ADRA2ADRD2ADRA2BADRA2CDRD1

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-2021021922-A1 COMPOUNDS AND METHODS FOR TREATING FIBROTIC PATHOLOGIES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2021-02-04 WO disclosed