SCHEMBL9620892

SCHEMBL9620892

O=C1CCCCc2cc(OCc3ccccc3)c(O)cc21

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.59
MAOA P21397 13/20 0.59
MRGPRX4 Q96LA9 1/20 0.46

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
SCHEMBL7429220 0.92 MAOB (0.51) MAOBMAOAMRGPRX4
SCHEMBL7278343 0.86 MAOA (0.68) MAOBMAOAMRGPRX4
SCHEMBL9621181 0.83 MAOA (0.57) MAOBMAOA
SCHEMBL9620526 0.83 MAOA (0.57) MAOBMAOA
SCHEMBL20234906 0.82 MAOA (0.62) MAOBMAOAMRGPRX4
SCHEMBL5713217 0.81 MAOA (0.61) MAOBMAOA
SCHEMBL11147426 0.81 MAOA (0.61) MAOBMAOA
SCHEMBL4192600 0.80 MAOB (0.56) MAOBMAOAMRGPRX4
SCHEMBL10880568 0.78 MAOA (0.58) MAOBMAOAMRGPRX4
SCHEMBL3451690 0.77 MAOB (0.94) MAOBMAOA

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-0284359-B1 1,4-DISUBSTITUTED PIPERAZINE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-01-08 EP disclosed
US-4880809-A HYPOTENSIVE AGENTS, AMIDE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-14 US disclosed
EP-0284359-A1 1,4-Disubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-09-28 EP disclosed