SCHEMBL8796863

SCHEMBL8796863

COc1cccc2c1C(=O)N(CCOc1ccc(CC3NC(=O)SC3=O)cc1)CO2

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.35
BCHE P06276 7/20 0.34
ACHE P22303 7/20 0.34
FFAR1 O14842 1/20 0.33
HCRTR1 O43613 3/20 0.32
HCRTR2 O43614 3/20 0.32
KCNH2 Q12809 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 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
SCHEMBL8796663 0.90 FFAR1 (0.36) HRH3FFAR1
SCHEMBL8796985 0.88 HRH3 (0.36) HRH3FFAR1
SCHEMBL8797166 0.86 BCHE (0.38) HRH3BCHEACHE
SCHEMBL6953755 0.84 HRH3 (0.40) HRH3ACHEFFAR1
SCHEMBL8796857 0.84 FFAR1 (0.49) HRH3FFAR1
SCHEMBL8797264 0.83 ROCK2 (0.38) HRH3FFAR1
SCHEMBL8796905 0.82 HRH3 (0.38) HRH3BCHEACHEKCNH2
SCHEMBL8797027 0.81 HRH3 (0.36) HRH3BCHEACHEFFAR1
SCHEMBL8797305 0.80 HRH3 (0.36) HRH3
SCHEMBL8798066 0.80 POLB (0.38) HRH3BCHEACHE

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