SCHEMBL8797744

SCHEMBL8797744

O=C1NC(Cc2ccc(OCCN3COc4cc(O)c(O)cc4C3=O)cc2)C(=O)S1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.35
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRB3 P13945 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
FFAR1 O14842 5/20 0.33
PPARG P37231 3/20 0.33
PPARA Q07869 2/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
KDM4A O75164 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
ALOX15 P16050 1/20 0.31
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL8797318 0.90 ESR1 (0.37) ESR1ESR2
SCHEMBL8797111 0.89 HRH3 (0.35) HRH3FFAR1PPARGKDM4AUSP2
SCHEMBL8797027 0.89 HRH3 (0.36) HRH3FFAR1PPARGKDM4AUSP2
SCHEMBL8797688 0.88 HRH3 (0.35) HRH3FFAR1PPARGKDM4AUSP2
SCHEMBL8797588 0.88 DRD2 (0.36) HRH3ESR1ESR2MAOB
SCHEMBL8797138 0.88 HRH3 (0.34) HRH3FFAR1PPARGESR1KDM4A
SCHEMBL8797133 0.88 HRH3 (0.34) HRH3FFAR1PPARGKDM4AUSP2
SCHEMBL8797166 0.88 BCHE (0.38) HRH3
SCHEMBL8796797 0.88 FFAR1 (0.39) HRH3FFAR1PPARGMAOB
SCHEMBL6953755 0.87 HRH3 (0.40) HRH3FFAR1PPARGMAOB

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