SCHEMBL9620939

SCHEMBL9620939

CCOc1cc2c(cc1OCC)CCCC(C(=O)N1CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC1)=C2

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KMT2A Q03164 1/20 0.50
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
HPGD P15428 1/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL9620917 0.94 POLB (0.54) POLBLMNAMAPTNPSR1KMT2A
SCHEMBL9620850 0.93 KMT2A (0.53) POLBLMNAMAPTKMT2AGAA
SCHEMBL9621368 0.92 SMN1; SMN2 (0.58) POLBLMNAMAPTNPSR1KMT2A
SCHEMBL9620863 0.92 POLB (0.58) POLBLMNANPSR1GAASMN1; SMN2
Methyl Alcohol SCHEMBL9782201 0.91 POLB (0.57) POLBLMNAGAASMN1; SMN2L3MBTL1
SCHEMBL9620811 0.90 POLB (0.58) POLBLMNANPSR1GAASMN1; SMN2
SCHEMBL9620806 0.90 POLB (0.58) POLBLMNANPSR1GAASMN1; SMN2
SCHEMBL9621351 0.89 KDM4E (0.48) POLBLMNAMAPTNPSR1KMT2A
Hydrochloric Acid SCHEMBL9620725 0.88 KDM4E (0.48) POLBLMNAMAPTNPSR1KMT2A
SCHEMBL9621378 0.87 ALDH1A1 (0.53) POLBLMNASMN1; SMN2L3MBTL1ALDH1A1

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