SCHEMBL7065387

SCHEMBL7065387

c1ccc2c(c1)CCCCCCS2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
RYR2 Q92736 6/20 0.47
HPGD P15428 3/20 0.42
CYP2A6 P11509 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
CES1 P23141 1/20 0.32

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
SCHEMBL7062470 1.00 TSHR (0.50) TSHRRYR2HPGDCYP2A6MAOA
SCHEMBL542070 0.98 TSHR (0.52) TSHRRYR2HPGDCYP2A6MAOA
Ammonia Solution, Strong SCHEMBL4616136 0.96 TSHR (0.50) TSHRRYR2HPGDCYP2A6MAOA
SCHEMBL130168 0.91 RYR2 (0.50) TSHRRYR2HPGDCYP2A6MAOA
SCHEMBL1267700 0.91 RYR2 (0.50) TSHRRYR2HPGDCYP2A6MAOA
SCHEMBL30118876 0.91 RYR2 (0.50) TSHRRYR2HPGDCYP2A6MAOA
SCHEMBL29387129 0.81
SCHEMBL8997 0.81
SCHEMBL1012871 0.81
SCHEMBL18661331 0.79 TSHR (0.57) TSHRHPGDCYP2A6MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901787-B1 Stabilized pharmaceutical composition TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
EP-0952826-B1 IDEBENONE CONTAINING COMBINATION AGENT FOR TREATING ALZHEIMER'S DISEASE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-11-14 EP disclosed
US-6187340-B1 TABLETS WITH COATINGS THAT PROTECT FROM LIGHT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-02-13 US disclosed
EP-0952826-A1 IDEBENONE CONTAINING COMBINATION AGENT FOR TREATING ALZHEIMER'S DISEASE Takeda Chemical Industries, Ltd. (JP) 1999-11-03 EP disclosed
US-5962535-A SYNERGISTIC MIXTURE OF IDEBENONE AND ACETYLCHOLINESTERASE INHIBITOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed
EP-0901787-A1 Stabilized pharmaceutical composition Takeda Chemical Industries, Ltd. (JP) 1999-03-17 EP disclosed
WO-1998031356-A1 IDEBENONE CONTAINING COMBINATION AGENT FOR TREATING ALZHEIMER'S DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-07-23 WO disclosed
EP-0487071-B1 Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-07-05 EP disclosed
US-5273974-A Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-12-28 US disclosed
EP-0487071-A1 Condensed heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-05-27 EP disclosed