SCHEMBL22952993

SCHEMBL22952993

Oc1ccc2c(c1O)CC(c1ccnc(C(F)(F)F)c1)C1CCNCC21

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.62
DRD2 P14416 1/20 0.62
ADRA2B P18089 1/20 0.62
ADRA2C P18825 1/20 0.62
DRD1 P21728 1/20 0.62
DRD5 P21918 1/20 0.62
DRD3 P35462 1/20 0.62
MAPK1 P28482 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
AKT1 P31749 1/20 0.31
HDAC4 P56524 1/20 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
SCHEMBL22952994 0.87 ADRA2A (0.65) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL22952932 0.86 ADRA2A (0.68) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL22952996 0.85 DRD1 (0.65) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL22952992 0.85 DRD1 (0.65) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL22953002 0.85 ADRA2A (0.65) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL22952936 0.83 DRD1 (0.63) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL22952930 0.82 ADRA2A (0.78) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL22953351 0.80 ADRA2A (0.42) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL611683 0.77 DRD1 (1.00) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL22953004 0.71 ADRA2A (0.45) 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