SCHEMBL7065340

SCHEMBL7065340

c1ccc2c(c1)CCCCCOC2

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
MAOB P27338 3/20 0.38
CYP2A6 P11509 2/20 0.38
MAOA P21397 2/20 0.38
HTR2C P28335 1/20 0.34
DRD2 P14416 3/20 0.34
DRD1 P21728 3/20 0.34
DRD4 P21917 3/20 0.34
DRD5 P21918 3/20 0.34
DRD3 P35462 3/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.34
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
SIGMAR1 Q99720 1/20 0.31
PNMT P11086 1/20 0.31
CD44 P16070 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL7065665 0.98 TSHR (0.59) TSHRMAOBCYP2A6MAOAHTR2C
SCHEMBL4850089 0.91 TSHR (0.55) TSHRMAOBCYP2A6MAOAHTR2C
SCHEMBL30387832 0.91 TSHR (0.55) TSHRMAOBCYP2A6MAOAHTR2C
Tetrahydrofuran SCHEMBL3265313 0.86 TSHR (0.68) TSHRMAOBCYP2A6MAOAHTR2C
SCHEMBL30988915 0.84 TSHR (0.57) TSHRMAOBCYP2A6MAOAHTR2C
SCHEMBL7062871 0.82 TSHR (0.62) TSHRMAOBCYP2A6MAOAHTR2C
SCHEMBL8262 0.81 TSHR (0.46) TSHRMAOBCYP2A6MAOAHTR2C
SCHEMBL29385689 0.81 TSHR (0.46) TSHRMAOBCYP2A6MAOAHTR2C
Hydrochloric Acid SCHEMBL7397054 0.79 TSHR (0.43) TSHRMAOBCYP2A6MAOAHTR2C
SCHEMBL28695844 0.79 TSHR (0.43) TSHRMAOBCYP2A6MAOAHTR2C

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