SCHEMBL7053063

SCHEMBL7053063

COc1cccc(C2CCCC(=O)C2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.54
ADRA1A P35348 3/20 0.51
DRD2 P14416 2/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
DDB1 Q16531 1/20 0.50
CRBN Q96SW2 1/20 0.50
GID4 Q8IVV7 1/20 0.50
HTR1A P08908 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1B P35368 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
KMT2A Q03164 1/20 0.45
GRM7 Q14831 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL7057736 0.91 ADRA1A (0.56) HTR2CADRA1ADRD2PDE4APDE4B
SCHEMBL20801960 0.84 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DDDB1
SCHEMBL22204489 0.84 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DDDB1
SCHEMBL20801909 0.84 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DDDB1
SCHEMBL23705886 0.84 HTR2C (0.58) HTR2CADRA1ADRD2DDB1CRBN
SCHEMBL20620763 0.83 KMT2A (0.44) ADRA1APDE4APDE4BPDE4CPDE4D
SCHEMBL2912686 0.81 HTR2C (0.64) HTR2CADRA1ADRD2PDE4APDE4B
SCHEMBL14941711 0.81 HTR2C (0.55) HTR2CADRA1ADRD2DDB1CRBN
SCHEMBL19010044 0.81 ALDH1A1 (0.51) DRD2PDE4APDE4BPDE4CPDE4D
SCHEMBL716437 0.81 ALDH1A1 (0.51) DRD2PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0940387-B1 PHENYLETHANOLAMINE COMPOUNDS USEFUL AS BETA3 AGONIST, PROCESS FOR PRODUCING THE SAME, AND INTERMEDIATES IN THE PRODUCTION OF THE SAME MITSUBISHI PHARMA CORP (JP) 2003-05-07 EP disclosed
EP-0736018-B1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2000-07-05 EP disclosed
US-6069176-A PHENYLETHANOLAMINE COMPOUNDS WITH A BETA-3 ADRENERGIC RECEPTOR STIMULATING EFFECT, USE AS A THERAPY FOR URINARY INCONTINENCE MITSUBISHI-TOKYO PHARMACEUTICALS, INC. (JP) 2000-05-30 US disclosed
US-6025375-A INHIBITORY ACTIVITY ON PLATELET AGGREGATION, VASODILATING ACTIVITY, ANTIHYPERTENSIVE ACTIVITY OR THE LIKE AND ARE PROSTAGLANDIN I.SUB.2 AGONISTS, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-02-15 US disclosed
EP-0940387-A1 PHENYLETHANOLAMINE COMPOUNDS USEFUL AS BETA3 AGONIST, PROCESS FOR PRODUCING THE SAME, AND INTERMEDIATES IN THE PRODUCTION OF THE SAME TOKYO TANABE COMPANY LIMITED (JP) 1999-09-08 EP disclosed
WO-1998031697-A1 ARYL C-GLYCOSIDE COMPOUNDS AND SULFATED ESTERS THEREOF SANKYO COMPANY, LIMITED (JP) 1998-07-23 WO disclosed
EP-0736018-A1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-09 EP disclosed
WO-1995017393-A1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-06-29 WO disclosed