SCHEMBL7065665

SCHEMBL7065665

c1ccc2c(c1)CCCCOC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
CYP2A6 P11509 2/20 0.37
HTR2C P28335 1/20 0.36
DRD2 P14416 3/20 0.35
DRD1 P21728 3/20 0.35
DRD4 P21917 3/20 0.35
DRD5 P21918 3/20 0.35
DRD3 P35462 3/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAOB P27338 3/20 0.34
MAOA P21397 2/20 0.34
BCL2L1 Q07817 1/20 0.34
BAD Q92934 1/20 0.34
SIGMAR1 Q99720 1/20 0.32
PNMT P11086 1/20 0.32
CD44 P16070 1/20 0.32
CYP1A2 P05177 1/20 0.32
LMNA P02545 1/20 0.32
KDM1A O60341 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
SCHEMBL7065340 0.98 TSHR (0.56) TSHRCYP2A6HTR2CDRD2DRD1
SCHEMBL30387832 0.93 TSHR (0.55) TSHRCYP2A6HTR2CDRD2DRD1
SCHEMBL4850089 0.93 TSHR (0.55) TSHRCYP2A6HTR2CDRD2DRD1
Tetrahydrofuran SCHEMBL3265313 0.88 TSHR (0.68) TSHRCYP2A6HTR2CDRD2DRD1
SCHEMBL7062871 0.84 TSHR (0.62) TSHRCYP2A6HTR2CDRD2DRD1
SCHEMBL8262 0.83 TSHR (0.46) TSHRCYP2A6HTR2CDRD2DRD1
SCHEMBL29385689 0.83 TSHR (0.46) TSHRCYP2A6HTR2CDRD2DRD1
Hydrochloric Acid SCHEMBL7397054 0.81 TSHR (0.43) TSHRCYP2A6HTR2CDRD2DRD1
SCHEMBL30988915 0.81 TSHR (0.57) TSHRCYP2A6HTR2CDRD2DRD1
Ammonia Solution, Strong SCHEMBL10744703 0.81 TSHR (0.43) TSHRCYP2A6HTR2CDRD2DRD1

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