SCHEMBL8796797

SCHEMBL8796797

O=C1NC(Cc2ccc(OCCN3COc4ccc(Cl)cc4C3=O)cc2)C(=O)S1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.39
PPARG P37231 1/20 0.39
MAOB P27338 4/20 0.37
HRH3 Q9Y5N1 6/20 0.34
FLT3 P36888 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
LRRK2 Q5S007 1/20 0.33
KCNH2 Q12809 1/20 0.32
MCHR1 Q99705 1/20 0.32
ROCK2 O75116 2/20 0.32
CHRM5 P08912 1/20 0.32

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
SCHEMBL8797206 0.96 HRH3 (0.38) FFAR1PPARGMAOBHRH3PSEN1
SCHEMBL8797111 0.91 HRH3 (0.35) FFAR1PPARGHRH3
SCHEMBL8797133 0.90 HRH3 (0.34) FFAR1PPARGHRH3
SCHEMBL8797688 0.90 HRH3 (0.35) FFAR1PPARGHRH3
SCHEMBL8797138 0.90 HRH3 (0.34) FFAR1PPARGHRH3
SCHEMBL8797588 0.90 DRD2 (0.36) MAOBHRH3KCNH2MCHR1
SCHEMBL8797429 0.89 MAOB (0.35) FFAR1PPARGMAOBHRH3
SCHEMBL8796803 0.89 HTT (0.36) HRH3
SCHEMBL8797027 0.88 HRH3 (0.36) FFAR1PPARGMAOBHRH3
SCHEMBL8797744 0.88 HRH3 (0.35) FFAR1PPARGMAOBHRH3

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