SCHEMBL8799698

SCHEMBL8799698

O=C1NC(Cc2ccc(OCCCN3CN(c4ccccc4)c4ccc(Cl)cc4C3=O)cc2)C(=O)S1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.41
FFAR1 O14842 3/20 0.34
PPARG P37231 1/20 0.34
ROCK2 O75116 3/20 0.33
GRM2 Q14416 1/20 0.33
F10 P00742 1/20 0.32
LARS1 Q9P2J5 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD5 P21918 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 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
SCHEMBL8796987 0.88 HRH3 (0.39) HRH3DRD2DRD3
SCHEMBL8796706 0.87 HRH3 (0.38) HRH3FFAR1PPARGROCK2
SCHEMBL8796714 0.86 ALDH1A1 (0.41) HRH3FFAR1PPARGGRM2
SCHEMBL8803024 0.86 HRH3 (0.41) HRH3FFAR1PPARG
SCHEMBL8799688 0.85 FFAR1 (0.51) HRH3FFAR1PPARG
SCHEMBL8796692 0.80 HRH3 (0.40) HRH3
SCHEMBL8797206 0.79 HRH3 (0.38) HRH3FFAR1PPARGROCK2DRD2
SCHEMBL8797303 0.76 HRH3 (0.37) HRH3FFAR1
SCHEMBL8797412 0.76 FFAR1 (0.39) HRH3FFAR1PPARGROCK2
SCHEMBL8796797 0.75 FFAR1 (0.39) HRH3FFAR1PPARGROCK2

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