SCHEMBL6953755

SCHEMBL6953755

O=C1NC(Cc2ccc(OCCN3COc4ccccc4C3=O)cc2)C(=O)S1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.40
FFAR1 O14842 2/20 0.35
PPARG P37231 2/20 0.35
MAOB P27338 2/20 0.35
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CTSK P43235 1/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
GLA P06280 1/20 0.33
ACHE P22303 2/20 0.33

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
SCHEMBL8798105 0.95 HRH3 (0.44) HRH3FFAR1PPARGMAOBCTSK
SCHEMBL8797318 0.88 ESR1 (0.37)
SCHEMBL8797264 0.88 ROCK2 (0.38) HRH3FFAR1PPARGMAOBHPGD
SCHEMBL8797305 0.88 HRH3 (0.36) HRH3MAOBHPGDNPSR1
SCHEMBL8797566 0.88 HRH3 (0.40) HRH3FFAR1MAOBHPGDNPSR1
SCHEMBL8796797 0.87 FFAR1 (0.39) HRH3FFAR1PPARGMAOB
SCHEMBL8797138 0.87 HRH3 (0.34) HRH3FFAR1PPARG
SCHEMBL8797588 0.87 DRD2 (0.36) HRH3MAOBRAB9ANPC1
SCHEMBL8796899 0.87 GAA (0.38) HRH3MAOB
SCHEMBL8797688 0.87 HRH3 (0.35) HRH3FFAR1PPARG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0903343-B1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP CO LTD (JP) 2003-05-28 EP disclosed
EP-0903343-A1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP Co., Ltd. (JP) 1999-03-24 EP disclosed
EP-0787727-A1 Benzoazine derivative or salt thereof and pharmaceutical composition comprising the same SS Pharmaceutical Co., Ltd. (JP) 1997-08-06 EP disclosed