SCHEMBL8797974

SCHEMBL8797974

N#Cc1ccc2c(c1)C(=O)N(CCCOc1ccc(CC3NC(=O)SC3=O)cc1)CO2

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.37
MAOB P27338 1/20 0.35
HRH2 P25021 5/20 0.32
HRH1 P35367 5/20 0.32
MEN1 O00255 1/20 0.32
GRM5 P41594 1/20 0.32
GHSR Q92847 1/20 0.31
DRD2 P14416 1/20 0.31
CHEK1 O14757 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
SCHEMBL8797429 0.96 MAOB (0.35) HRH3MAOBGRM5
SCHEMBL8796918 0.89 HRH3 (0.38) HRH3DRD2
SCHEMBL8797206 0.89 HRH3 (0.38) HRH3MAOBDRD2
SCHEMBL8798105 0.87 HRH3 (0.44) HRH3MAOB
SCHEMBL8797248 0.87 HRH3 (0.37) HRH3HRH2HRH1MEN1DRD2
SCHEMBL8797269 0.86 HRH3 (0.35) HRH3
SCHEMBL8797588 0.84 DRD2 (0.36) HRH3MAOBMEN1GRM5DRD2
SCHEMBL8796797 0.84 FFAR1 (0.39) HRH3MAOB
SCHEMBL8796841 0.84 HRH3 (0.39) HRH3MAOBMEN1
SCHEMBL8797138 0.84 HRH3 (0.34) HRH3

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