SCHEMBL5565079

SCHEMBL5565079

COC(=O)COc1ccc(OCCNCC(O)COc2ccccc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.80
ADRB1 P08588 4/20 0.80
ADRB3 P13945 2/20 0.80
CYP1A2 P05177 1/20 0.80
CYP3A4 P08684 1/20 0.74
CYP2D6 P10635 1/20 0.74
ATM Q13315 1/20 0.72
MEN1 O00255 1/20 0.54
OPRM1 P35372 1/20 0.54
OPRD1 P41143 1/20 0.54
KMT2A Q03164 1/20 0.54
ABCB1 P08183 2/20 0.54
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52

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
Hydrochloric Acid SCHEMBL10346456 0.99 ADRB1 (0.78) ADRB2ADRB1ADRB3CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL10346753 0.93 ADRB2 (0.69) ADRB2ADRB1ADRB3CYP1A2CYP3A4
SCHEMBL10772317 0.91 ADRB2 (0.65) ADRB2ADRB1ADRB3CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL10772403 0.90 ADRB2 (0.64) ADRB2ADRB1ADRB3CYP1A2CYP3A4
SCHEMBL9320119 0.89 ADRB1 (0.81) ADRB2ADRB1ADRB3CYP1A2CYP3A4
SCHEMBL9320098 0.89 ADRB1 (0.81) ADRB2ADRB1ADRB3CYP1A2CYP3A4
SCHEMBL10591187 0.89 ADRB1 (0.77) ADRB2ADRB1ADRB3CYP1A2CYP3A4
SCHEMBL17086818 0.89 ADRB1 (1.00) ADRB2ADRB1ADRB3CYP1A2CYP3A4
SCHEMBL12648565 0.89 ADRB1 (1.00) ADRB2ADRB1ADRB3CYP1A2CYP3A4
SCHEMBL6818065 0.89 ADRB1 (1.00) ADRB2ADRB1ADRB3CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276576-B1 Mammalian ICYP (iodocyanopindolol) receptor and its applications DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-10-02 US disclosed
EP-0951548-B9 MAMMALIAN ICYP (IODOCYANOPINDOLOL)RECEPTOR AND ITS APPLICATIONS DAINIPPON SUMITOMO PHARMA CO (JP) 2006-06-28 EP disclosed
EP-0951548-B1 MAMMALIAN ICYP (IODOCYANOPINDOLOL)RECEPTOR AND ITS APPLICATIONS DAINIPPON SUMITOMO PHARMA CO (JP) 2006-02-08 EP disclosed
EP-0951548-A1 MAMMALIAN ICYP (IODOCYANOPINDOLOL)RECEPTOR AND ITS APPLICATIONS Vetigen (FR) 1999-10-27 EP disclosed
WO-1998026065-A1 MAMMALIAN ICYP (IODOCYANOPINDOLOL) RECEPTOR AND ITS APPLICATIONS VETIGEN (FR) 1998-06-18 WO disclosed
EP-0848059-A1 Mammalian ICYP (Iodocyanopindolol) receptor and its applications Vetigen (FR) 1998-06-17 EP disclosed
US-4977148-A THERMOGENIC STIMULANTS FOR OBESITY OR DIABETES IMPERIAL CHEMICAL INDUSTRIES (GB) 1990-12-11 US disclosed
EP-0210849-B1 2-HYDROXY-3-PHENOXYPROPYL AMINES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-29 EP disclosed
US-4927836-A OBESITY IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-22 US disclosed
EP-0254532-B1 AMIDE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-09 EP disclosed
US-4772631-A Phenyl ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-09-20 US disclosed
EP-0254532-A1 Amide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-01-27 EP disclosed
EP-0210849-A1 2-Hydroxy-3-phenoxypropyl amines IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-02-04 EP disclosed