SCHEMBL8797111

SCHEMBL8797111

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

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.35
FFAR1 O14842 5/20 0.34
PPARG P37231 3/20 0.34
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
L3MBTL1 Q9Y468 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
TNIK Q9UKE5 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
SCHEMBL8796797 0.91 FFAR1 (0.39) HRH3FFAR1PPARG
SCHEMBL8797027 0.89 HRH3 (0.36) HRH3FFAR1PPARGKDM4AUSP2
SCHEMBL8797744 0.89 HRH3 (0.35) HRH3FFAR1PPARGKDM4AUSP2
SCHEMBL8797138 0.88 HRH3 (0.34) HRH3FFAR1PPARGKDM4AUSP2
SCHEMBL8797588 0.88 DRD2 (0.36) HRH3
SCHEMBL8797133 0.88 HRH3 (0.34) HRH3FFAR1PPARGKDM4AUSP2
SCHEMBL8797166 0.88 BCHE (0.38) HRH3
SCHEMBL8797688 0.88 HRH3 (0.35) HRH3FFAR1PPARGKDM4AUSP2
SCHEMBL6953755 0.87 HRH3 (0.40) HRH3FFAR1PPARG
SCHEMBL8796803 0.87 HTT (0.36) HRH3KDM4AUSP2POLBALOX15

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