SCHEMBL8796706

SCHEMBL8796706

Nc1ccc2c(c1)C(=O)N(CCOc1ccc(CC3NC(=O)SC3=O)cc1)CN2c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.38
CHRM5 P08912 2/20 0.32
FFAR1 O14842 3/20 0.32
PPARG P37231 2/20 0.32
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
ROCK2 O75116 1/20 0.30
CTSK P43235 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 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
SCHEMBL8796714 0.91 ALDH1A1 (0.41) HRH3CHRM5FFAR1PPARGALDH1A1
SCHEMBL8803024 0.91 HRH3 (0.41) HRH3FFAR1PPARGMAOAMAOB
SCHEMBL8799698 0.87 HRH3 (0.41) HRH3FFAR1PPARGROCK2
SCHEMBL8796987 0.84 HRH3 (0.39) HRH3ALDH1A1
SCHEMBL8796703 0.84 FFAR1 (0.49) HRH3FFAR1PPARGMAPT
SCHEMBL8797303 0.81 HRH3 (0.37) HRH3FFAR1ALDH1A1LMNAMAPT
SCHEMBL8797138 0.80 HRH3 (0.34) HRH3FFAR1PPARG
SCHEMBL8796692 0.77 HRH3 (0.40) HRH3ALDH1A1MAPTBCHEACHE
SCHEMBL8796918 0.76 HRH3 (0.38) HRH3
SCHEMBL8796710 0.75 FFAR1 (0.48) HRH3FFAR1PPARGALDH1A1MAPT

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