SCHEMBL8797173

SCHEMBL8797173

NC(=O)c1ccc2c(c1)C(=O)N(CCOc1ccc(CC3NC(=O)SC3=O)cc1)CO2

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.33
CHEK2 O96017 2/20 0.32
PPARG P37231 4/20 0.32
FFAR1 O14842 3/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
TBXAS1 P24557 1/20 0.31
MMP12 P39900 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
PARP10 Q53GL7 1/20 0.30

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
SCHEMBL8797039 0.93 KDM4E (0.34) HRH3PPARGFFAR1
SCHEMBL8797248 0.89 HRH3 (0.37) HRH3
SCHEMBL8797138 0.88 HRH3 (0.34) HRH3PPARGFFAR1ESR1
SCHEMBL8797133 0.86 HRH3 (0.34) HRH3PPARGFFAR1
SCHEMBL8797688 0.86 HRH3 (0.35) HRH3PPARGFFAR1
SCHEMBL8797588 0.86 DRD2 (0.36) HRH3ESR1ESR2
SCHEMBL8796797 0.86 FFAR1 (0.39) HRH3PPARGFFAR1
SCHEMBL8797744 0.86 HRH3 (0.35) HRH3PPARGFFAR1ESR1ESR2
SCHEMBL8797429 0.86 MAOB (0.35) HRH3PPARGFFAR1
SCHEMBL8796803 0.86 HTT (0.36) 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