SCHEMBL8797166

SCHEMBL8797166

COc1cc2c(cc1OC)C(=O)N(CCOc1ccc(CC3NC(=O)SC3=O)cc1)CO2

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCHE P06276 10/20 0.38
ACHE P22303 10/20 0.38
HRH3 Q9Y5N1 2/20 0.35
KMT2A Q03164 1/20 0.34

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
SCHEMBL8797264 0.90 ROCK2 (0.38) HRH3KMT2A
SCHEMBL8797027 0.89 HRH3 (0.36) BCHEACHEHRH3KMT2A
SCHEMBL8797688 0.88 HRH3 (0.35) HRH3KMT2A
SCHEMBL8797111 0.88 HRH3 (0.35) HRH3
SCHEMBL8797744 0.88 HRH3 (0.35) HRH3
SCHEMBL8796803 0.87 HTT (0.36) ACHEHRH3KMT2A
SCHEMBL8797305 0.87 HRH3 (0.36) HRH3KMT2A
SCHEMBL8796863 0.86 HRH3 (0.35) BCHEACHEHRH3
SCHEMBL8797588 0.86 DRD2 (0.36) HRH3KMT2A
SCHEMBL8796899 0.86 GAA (0.38) HRH3KMT2A

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