SCHEMBL9620868

SCHEMBL9620868

[C]1=Cc2ccc(OCc3ccccc3)cc2CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.51
MAOB P27338 8/20 0.49
MAOA P21397 7/20 0.49
ALOX5 P09917 1/20 0.47
CYP2D6 P10635 3/20 0.45
KDM1A O60341 1/20 0.45
HRH1 P35367 1/20 0.45

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
SCHEMBL9781925 0.92 MAOB (0.53) HRH3MAOBMAOAALOX5CYP2D6
SCHEMBL9621104 0.78 SLC2A1 (0.40) MAOBMAOACYP2D6
SCHEMBL7795457 0.77 MAOB (0.52) HRH3MAOBMAOAALOX5CYP2D6
SCHEMBL9621003 0.77 MEN1 (0.38) HRH3
SCHEMBL18839037 0.75 HRH3 (0.52) HRH3MAOBMAOAALOX5CYP2D6
SCHEMBL9620717 0.75 HRH3 (0.37) HRH3MAOBMAOA
SCHEMBL225661 0.74 MAOB (0.51) HRH3MAOBMAOAALOX5CYP2D6
SCHEMBL30616511 0.74 MAOB (0.51) HRH3MAOBMAOAALOX5CYP2D6
SCHEMBL11519620 0.74 HRH3 (0.55) HRH3MAOBMAOAALOX5CYP2D6
SCHEMBL9621156 0.74 MAOB (0.35) HRH3MAOBMAOACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0284359-B1 1,4-DISUBSTITUTED PIPERAZINE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-01-08 EP disclosed
EP-0368670-A1 Trisubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-05-16 EP disclosed
US-4880809-A HYPOTENSIVE AGENTS, AMIDE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-14 US disclosed
CN-88101588-A Preparation 1, the method for 4-disubstituted piperazines compounds 1988-11-23 CN disclosed
EP-0284359-A1 1,4-Disubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-09-28 EP disclosed