SCHEMBL8797429

SCHEMBL8797429

N#Cc1ccc2c(c1)C(=O)N(CCOc1ccc(CC3NC(=O)SC3=O)cc1)CO2

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.35
HRH3 Q9Y5N1 6/20 0.34
ALK Q9UM73 2/20 0.33
GRM5 P41594 1/20 0.32
MAOA P21397 1/20 0.32
TNIK Q9UKE5 1/20 0.32
FFAR1 O14842 3/20 0.31
PPARG P37231 3/20 0.31
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KMT2A Q03164 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
SCHEMBL8797974 0.96 HRH3 (0.37) MAOBHRH3GRM5
SCHEMBL8796797 0.89 FFAR1 (0.39) MAOBHRH3FFAR1PPARG
SCHEMBL8797588 0.89 DRD2 (0.36) MAOBHRH3GRM5MAOASMN1; SMN2
SCHEMBL8797688 0.89 HRH3 (0.35) HRH3FFAR1PPARGMAPTSMN1; SMN2
SCHEMBL8797138 0.89 HRH3 (0.34) HRH3FFAR1PPARG
SCHEMBL8797133 0.89 HRH3 (0.34) HRH3FFAR1PPARG
SCHEMBL8796803 0.88 HTT (0.36) HRH3MAPTSMN1; SMN2KMT2A
SCHEMBL8797111 0.87 HRH3 (0.35) HRH3TNIKFFAR1PPARG
SCHEMBL8797027 0.87 HRH3 (0.36) MAOBHRH3FFAR1PPARGMAPT
SCHEMBL8797744 0.87 HRH3 (0.35) MAOBHRH3FFAR1PPARG

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