SCHEMBL8797138

SCHEMBL8797138

Nc1ccc2c(c1)C(=O)N(CCOc1ccc(CC3NC(=O)SC3=O)cc1)CO2

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.34
ESR1 P03372 1/20 0.30
FFAR1 O14842 2/20 0.30
PPARG P37231 2/20 0.30
KDM4A O75164 1/20 0.30
USP2 O75604 1/20 0.30
POLB P06746 1/20 0.30
ALOX15 P16050 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8796918 0.96 HRH3 (0.38) HRH3KDM4AUSP2POLBALOX15
SCHEMBL8797688 0.90 HRH3 (0.35) HRH3FFAR1PPARGKDM4AUSP2
SCHEMBL8797588 0.90 DRD2 (0.36) HRH3ESR1
SCHEMBL8796797 0.90 FFAR1 (0.39) HRH3FFAR1PPARG
SCHEMBL8797133 0.90 HRH3 (0.34) HRH3FFAR1PPARGKDM4AUSP2
SCHEMBL8797429 0.89 MAOB (0.35) HRH3FFAR1PPARG
SCHEMBL8796803 0.89 HTT (0.36) HRH3KDM4AUSP2POLBALOX15
SCHEMBL8797173 0.88 HRH3 (0.33) HRH3ESR1FFAR1PPARG
SCHEMBL8797111 0.88 HRH3 (0.35) HRH3FFAR1PPARGKDM4AUSP2
SCHEMBL8797027 0.88 HRH3 (0.36) HRH3FFAR1PPARGKDM4AUSP2

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