SCHEMBL8797206

SCHEMBL8797206

O=C1NC(Cc2ccc(OCCCN3COc4ccc(Cl)cc4C3=O)cc2)C(=O)S1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.38
MAOB P27338 3/20 0.37
FFAR1 O14842 3/20 0.36
PPARG P37231 1/20 0.36
THRB P10828 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
DRD2 P14416 1/20 0.32
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
ROCK2 O75116 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
SCHEMBL8796797 0.96 FFAR1 (0.39) HRH3MAOBFFAR1PPARGPSEN1
SCHEMBL8796918 0.90 HRH3 (0.38) HRH3DRD2KDM4AUSP2POLB
SCHEMBL8797974 0.89 HRH3 (0.37) HRH3MAOBDRD2
SCHEMBL8798105 0.88 HRH3 (0.44) HRH3MAOBFFAR1PPARGKDM4A
SCHEMBL8797248 0.87 HRH3 (0.37) HRH3DRD2KDM4AUSP2POLB
SCHEMBL8797111 0.87 HRH3 (0.35) HRH3FFAR1PPARGKDM4AUSP2
SCHEMBL8797269 0.87 HRH3 (0.35) HRH3
SCHEMBL8797138 0.85 HRH3 (0.34) HRH3FFAR1PPARGKDM4AUSP2
SCHEMBL8797588 0.85 DRD2 (0.36) HRH3MAOBDRD2
SCHEMBL8796841 0.85 HRH3 (0.39) HRH3MAOBTHRBTDP1KDM4A

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