SCHEMBL8934556

SCHEMBL8934556

Cc1ccn2c(C)c(CCc3ccc(NC4=NCCN4)cc3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 15/20 0.48
ADRA2B P18089 14/20 0.48
ADRA2C P18825 14/20 0.48
PTGIR P43119 4/20 0.44
AOC3 Q16853 1/20 0.44
GPR65 Q8IYL9 1/20 0.42

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
SCHEMBL8934612 0.82 TP53 (0.36) AOC3
SCHEMBL8934533 0.80 NPY1R (0.50) AOC3
SCHEMBL8934592 0.80 MAPT (0.37)
Hydrochloric Acid SCHEMBL8934527 0.79 CRHBP (0.40)
SCHEMBL13017196 0.76 ADRA2A (0.81) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL8934581 0.74 TP53 (0.36)
SCHEMBL8934510 0.74 NPC1 (0.41)
SCHEMBL8934521 0.73 THRB (0.39)
SCHEMBL9380526 0.71 ALDH1A1 (0.44)
SCHEMBL13062961 0.71 ADRA2A (0.72) ADRA2AADRA2BADRA2CPTGIRGPR65

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-1996030350-A1 AMIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-03 WO disclosed