SCHEMBL8797289

SCHEMBL8797289

CC(C)c1ccc2c(c1)OCN(CCOc1ccc(CC3NC(=O)SC3=O)cc1)C2=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.36
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRB3 P13945 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
MAOB P27338 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PPARG P37231 1/20 0.32
TNIK Q9UKE5 1/20 0.32
FFAR1 O14842 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
SCHEMBL8797264 0.89 ROCK2 (0.38) HRH3MAOBMEN1KMT2AMAPT
SCHEMBL8797305 0.89 HRH3 (0.36) HRH3MAOBMEN1KMT2AMAPT
SCHEMBL8796899 0.88 GAA (0.38) HRH3MAOBKMT2AMAPTTNIK
SCHEMBL8797483 0.87 POLB (0.35) HRH3MAOBKMT2AMAPTPPARG
SCHEMBL8797318 0.87 ESR1 (0.37)
SCHEMBL8797027 0.86 HRH3 (0.36) HRH3MAOBMEN1KMT2AMAPT
SCHEMBL6953755 0.86 HRH3 (0.40) HRH3MAOBRAB9APPARGFFAR1
SCHEMBL8797166 0.84 BCHE (0.38) HRH3KMT2A
SCHEMBL8796841 0.84 HRH3 (0.39) HRH3MAOBMEN1KMT2AMAPT
SCHEMBL8797688 0.84 HRH3 (0.35) HRH3MEN1KMT2AMAPTSMN1; SMN2

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
EP-0787727-A1 Benzoazine derivative or salt thereof and pharmaceutical composition comprising the same SS Pharmaceutical Co., Ltd. (JP) 1997-08-06 EP disclosed